N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide

C23H23N3O3S — CID 11327642

IUPACN-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccs1
InChIInChI=1S/C23H23N3O3S/c1-16-7-8-18(15-20(16)25-23(28)21-6-3-13-30-21)24-22(27)17-4-2-5-19(14-17)26-9-11-29-12-10-26/h2-8,13-15H,9-12H2,1H3,(H,24,27)(H,25,28)
InChIKeyJNKMEBYYVABZCN-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.40
Rot. Bonds5

About N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 11327642) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID11327642
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccs1
InChIInChI=1S/C23H23N3O3S/c1-16-7-8-18(15-20(16)25-23(28)21-6-3-13-30-21)24-22(27)17-4-2-5-19(14-17)26-9-11-29-12-10-26/h2-8,13-15H,9-12H2,1H3,(H,24,27)(H,25,28)
InChIKeyJNKMEBYYVABZCN-UHFFFAOYSA-N
XLogP4.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
CID 22291112
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide
CID 142647198
N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46563897
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362455
2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1432969
tert-butyl 4-[4-[[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 22291050
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853
N-[3-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56556230

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 11327642) is N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is JNKMEBYYVABZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-16-7-8-18(15-20(16)25-23(28)21-6-3-13-30-21)24-22(27)17-4-2-5-19(14-17)26-9-11-29-12-10-26/h2-8,13-15H,9-12H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 11327642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).