N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide

C15H15ClN2O3S — CID 17497310

IUPACN-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C15H15ClN2O3S/c1-21-12-5-4-10(9-11(12)16)18-14(19)6-7-17-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyDQCPUUXJPDRJRM-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.17
Rot. Bonds6

About N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17497310) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17497310
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C15H15ClN2O3S/c1-21-12-5-4-10(9-11(12)16)18-14(19)6-7-17-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyDQCPUUXJPDRJRM-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499997
N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866426
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229313
N-[4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 29168982
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55745271
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
tert-butyl N-[2-methoxy-5-[4-(thiophene-2-carbonylamino)butanoylamino]phenyl]carbamate
CID 55654857

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 17497310) is N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide is COc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is DQCPUUXJPDRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-21-12-5-4-10(9-11(12)16)18-14(19)6-7-17-15(20)13-3-2-8-22-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17497310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).