2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide

C21H17ClN4O2S — CID 1280362

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O2S/c1-28-17-7-5-16(6-8-17)26-24-19-11-4-15(12-20(19)25-26)23-21(27)13-29-18-9-2-14(22)3-10-18/h2-12H,13H2,1H3,(H,23,27)
InChIKeyLHPBOBZRONXKMS-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.81
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (PubChem CID 1280362) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
PubChem CID1280362
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O2S/c1-28-17-7-5-16(6-8-17)26-24-19-11-4-15(12-20(19)25-26)23-21(27)13-29-18-9-2-14(22)3-10-18/h2-12H,13H2,1H3,(H,23,27)
InChIKeyLHPBOBZRONXKMS-UHFFFAOYSA-N
XLogP4.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide
CID 759619
2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
CID 1258318
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334916
N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 776791
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
CID 1007369
N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
2-(4-chlorophenyl)sulfanyl-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide
CID 1325804
1-(4-Chlorobenzenesulfonyl)-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-YL]piperidine-4-carboxamide
CID 3192899
N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]acetamide
CID 17027239
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-2-(phenylsulfanyl)acetamide
CID 17220249
2-[(4-chlorophenyl)sulfanyl]-N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]acetamide
CID 2040426
3-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]butanamide
CID 141419764

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (CID 1280362) is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is COc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is LHPBOBZRONXKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-28-17-7-5-16(6-8-17)26-24-19-11-4-15(12-20(19)25-26)23-21(27)13-29-18-9-2-14(22)3-10-18/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1280362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).