N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide

C21H20N2O3S — CID 60555404

IUPACN-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-14(2)26-17-9-7-16(8-10-17)22-21(25)18-5-3-4-6-19(18)23-20(24)15-11-12-27-13-15/h3-14H,1-2H3,(H,22,25)(H,23,24)
InChIKeyNMRNHSRXTCRDJW-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.04
Rot. Bonds6

About N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 60555404) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID60555404
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-14(2)26-17-9-7-16(8-10-17)22-21(25)18-5-3-4-6-19(18)23-20(24)15-11-12-27-13-15/h3-14H,1-2H3,(H,22,25)(H,23,24)
InChIKeyNMRNHSRXTCRDJW-UHFFFAOYSA-N
XLogP5.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 86898727
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
2-[(4-propan-2-yloxybenzoyl)amino]-N-propylbenzamide
CID 4951942
2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide
CID 66354382
2-[[4-(1-hydroxyethyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 10620419
tert-butyl N-[2-fluoro-5-[[2-(thiophene-3-carbonylamino)benzoyl]amino]phenyl]carbamate
CID 55969188
2-chloro-4-nitro-N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]benzamide
CID 55972675
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4942074

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide (CID 60555404) is N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is NMRNHSRXTCRDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14(2)26-17-9-7-16(8-10-17)22-21(25)18-5-3-4-6-19(18)23-20(24)15-11-12-27-13-15/h3-14H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 60555404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).