N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide

C23H25N3O3S — CID 86898727

IUPACN-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1
InChIInChI=1S/C23H25N3O3S/c1-26(2)13-5-14-29-19-10-8-18(9-11-19)24-23(28)20-6-3-4-7-21(20)25-22(27)17-12-15-30-16-17/h3-4,6-12,15-16H,5,13-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyXUIPXLGVRXXBHB-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.58
Rot. Bonds9

About N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 86898727) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID86898727
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1
InChIInChI=1S/C23H25N3O3S/c1-26(2)13-5-14-29-19-10-8-18(9-11-19)24-23(28)20-6-3-4-7-21(20)25-22(27)17-12-15-30-16-17/h3-4,6-12,15-16H,5,13-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyXUIPXLGVRXXBHB-UHFFFAOYSA-N
XLogP4.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 60555404
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 86898714
N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455576
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 86898701
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide (CID 86898727) is N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide is CN(C)CCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is XUIPXLGVRXXBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-26(2)13-5-14-29-19-10-8-18(9-11-19)24-23(28)20-6-3-4-7-21(20)25-22(27)17-12-15-30-16-17/h3-4,6-12,15-16H,5,13-14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 86898727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).