N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

C20H17ClN2O2S2 — CID 22776740

IUPACN-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(Sc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2S2/c1-13(19(24)22-15-6-4-14(21)5-7-15)27-17-10-8-16(9-11-17)23-20(25)18-3-2-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyCZYIOEFKPYUVST-UHFFFAOYSA-N
MW416.96 g/mol
LogP5.77
Rot. Bonds6

About N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 22776740) has the molecular formula C20H17ClN2O2S2 and a molecular weight of 416.96 g/mol. Its IUPAC name is N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID22776740
Molecular FormulaC20H17ClN2O2S2
Molecular Weight416.96 g/mol
Exact Mass416.04
IUPAC NameN-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(Sc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2S2/c1-13(19(24)22-15-6-4-14(21)5-7-15)27-17-10-8-16(9-11-17)23-20(25)18-3-2-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyCZYIOEFKPYUVST-UHFFFAOYSA-N
XLogP5.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.96
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630089
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906129
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
N-[3-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906175
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23099768
methyl 4-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 970587
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
CID 22781798
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906184

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide (CID 22776740) is N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide is CC(Sc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is CZYIOEFKPYUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S2/c1-13(19(24)22-15-6-4-14(21)5-7-15)27-17-10-8-16(9-11-17)23-20(25)18-3-2-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 416.96 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22776740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).