N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide

C23H22ClNO2S — CID 70637391

IUPACN-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide
SMILESCCCCC(C(=O)Nc1ccc(Cl)cc1)c1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C23H22ClNO2S/c1-2-3-5-20(23(27)25-19-13-11-18(24)12-14-19)16-7-9-17(10-8-16)22(26)21-6-4-15-28-21/h4,6-15,20H,2-3,5H2,1H3,(H,25,27)
InChIKeyWAVNYIGRTLBAJZ-UHFFFAOYSA-N
MW411.95 g/mol
LogP6.55
Rot. Bonds8

About N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide

N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide (PubChem CID 70637391) has the molecular formula C23H22ClNO2S and a molecular weight of 411.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide
PubChem CID70637391
Molecular FormulaC23H22ClNO2S
Molecular Weight411.95 g/mol
Exact Mass411.11
IUPAC NameN-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide
SMILESCCCCC(C(=O)Nc1ccc(Cl)cc1)c1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C23H22ClNO2S/c1-2-3-5-20(23(27)25-19-13-11-18(24)12-14-19)16-7-9-17(10-8-16)22(26)21-6-4-15-28-21/h4,6-15,20H,2-3,5H2,1H3,(H,25,27)
InChIKeyWAVNYIGRTLBAJZ-UHFFFAOYSA-N
XLogP6.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.95
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
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N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
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2,3-dibutyl-1,4-dithiophen-2-ylbutane-1,4-dione
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CID 668928
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
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2-thiophen-2-ylhexanehydrazide
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N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide (CID 70637391) is N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide is CCCCC(C(=O)Nc1ccc(Cl)cc1)c1ccc(C(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide?
The InChIKey is WAVNYIGRTLBAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2S/c1-2-3-5-20(23(27)25-19-13-11-18(24)12-14-19)16-7-9-17(10-8-16)22(26)21-6-4-15-28-21/h4,6-15,20H,2-3,5H2,1H3,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide?
N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide has a molecular weight of 411.95 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(thiophene-2-carbonyl)phenyl]hexanamide is sourced from PubChem (CID 70637391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).