2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide

C25H27N3O4S2 — CID 66637619

IUPAC2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2c(C)csc2NC(=O)c2cccc(CSCCCO)c2)cc1
InChIInChI=1S/C25H27N3O4S2/c1-17-15-34-25(22(17)24(31)28-26-14-18-7-9-21(32-2)10-8-18)27-23(30)20-6-3-5-19(13-20)16-33-12-4-11-29/h3,5-10,13-15,29H,4,11-12,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFAFGDKMRWDTIJM-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.70
Rot. Bonds11

About 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide

2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide (PubChem CID 66637619) has the molecular formula C25H27N3O4S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
PubChem CID66637619
Molecular FormulaC25H27N3O4S2
Molecular Weight497.64 g/mol
Exact Mass497.14
IUPAC Name2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2c(C)csc2NC(=O)c2cccc(CSCCCO)c2)cc1
InChIInChI=1S/C25H27N3O4S2/c1-17-15-34-25(22(17)24(31)28-26-14-18-7-9-21(32-2)10-8-18)27-23(30)20-6-3-5-19(13-20)16-33-12-4-11-29/h3,5-10,13-15,29H,4,11-12,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFAFGDKMRWDTIJM-UHFFFAOYSA-N
XLogP4.70
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
CID 66639503
N-[(4-fluorophenyl)methylideneamino]-2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 66639584
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-2-[[3-[sulfanyl(1H-1,2,4-triazol-5-yl)methyl]benzoyl]amino]thiophene-3-carboxamide
CID 87086161
2-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]thiophene-3-carboxamide
CID 23108240
5-(4-fluorobutoxy)-2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 23107408
2-[[3-[[bis[2-(diethylamino)ethyl]amino]methyl]benzoyl]amino]-N-[(4-fluorophenyl)methylideneamino]-4-methylthiophene-3-carboxamide
CID 66637916
2-[(3,4-dimethoxybenzoyl)amino]-N-[(3,4-dimethylphenyl)methylideneamino]-4-methylthiophene-3-carboxamide
CID 66638055
2-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]amino]-N-[(E)-(4-fluorophenyl)methylideneamino]-4-methylthiophene-3-carboxamide
CID 58712787
2-[[3-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 23107427
5-chloro-N-[(3,4-dimethylphenyl)methylideneamino]-2-[[3-(2-hydroxyethylsulfanylmethyl)benzoyl]amino]benzamide
CID 77403292
N-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[[3-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-4-methylthiophene-3-carboxamide
CID 23108237
N-[[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]-2-[(3,4-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 66638264

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide (CID 66637619) is 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide is COc1ccc(C=NNC(=O)c2c(C)csc2NC(=O)c2cccc(CSCCCO)c2)cc1.
What is the InChIKey of 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide?
The InChIKey is FAFGDKMRWDTIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S2/c1-17-15-34-25(22(17)24(31)28-26-14-18-7-9-21(32-2)10-8-18)27-23(30)20-6-3-5-19(13-20)16-33-12-4-11-29/h3,5-10,13-15,29H,4,11-12,16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide?
2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 4.70, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-hydroxypropylsulfanylmethyl)benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 66637619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).