N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide

C21H17ClN2OS — CID 165018533

IUPACN-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide
SMILESCn1c2ccccc2c2ccc(SCC(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C21H17ClN2OS/c1-24-19-5-3-2-4-17(19)18-11-10-16(12-20(18)24)26-13-21(25)23-15-8-6-14(22)7-9-15/h2-12H,13H2,1H3,(H,23,25)
InChIKeyKUMXHBVLAOEYSQ-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.72
Rot. Bonds4

About N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide

N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide (PubChem CID 165018533) has the molecular formula C21H17ClN2OS and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide
PubChem CID165018533
Molecular FormulaC21H17ClN2OS
Molecular Weight380.90 g/mol
Exact Mass380.08
IUPAC NameN-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide
SMILESCn1c2ccccc2c2ccc(SCC(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C21H17ClN2OS/c1-24-19-5-3-2-4-17(19)18-11-10-16(12-20(18)24)26-13-21(25)23-15-8-6-14(22)7-9-15/h2-12H,13H2,1H3,(H,23,25)
InChIKeyKUMXHBVLAOEYSQ-UHFFFAOYSA-N
XLogP5.72
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55787862
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
N-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4192226
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 75416497
4-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897062

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide (CID 165018533) is N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide is Cn1c2ccccc2c2ccc(SCC(=O)Nc3ccc(Cl)cc3)cc21.
What is the InChIKey of N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide?
The InChIKey is KUMXHBVLAOEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2OS/c1-24-19-5-3-2-4-17(19)18-11-10-16(12-20(18)24)26-13-21(25)23-15-8-6-14(22)7-9-15/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide has a molecular weight of 380.90 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 165018533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).