N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide

C16H17ClN2O4S — CID 17499997

IUPACN-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)CCNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-22-12-9-13(23-2)11(8-10(12)17)19-15(20)5-6-18-16(21)14-4-3-7-24-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyRNQLZPRSSBLVKP-UHFFFAOYSA-N
MW368.84 g/mol
LogP3.18
Rot. Bonds7

About N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17499997) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17499997
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC NameN-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)CCNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-22-12-9-13(23-2)11(8-10(12)17)19-15(20)5-6-18-16(21)14-4-3-7-24-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyRNQLZPRSSBLVKP-UHFFFAOYSA-N
XLogP3.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 29168982
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 30951780
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 36542894
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2,3-dimethylphenyl)butanediamide
CID 1139091
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 42896149

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 17499997) is N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide is COc1cc(OC)c(NC(=O)CCNC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is RNQLZPRSSBLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-22-12-9-13(23-2)11(8-10(12)17)19-15(20)5-6-18-16(21)14-4-3-7-24-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 368.84 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17499997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).