N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C20H21N7O4S — CID 24666834

IUPACN-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)cc1NC(C)=O
InChIInChI=1S/C20H21N7O4S/c1-12(28)21-16-10-15(8-9-17(16)31-3)23-19(30)13-4-6-14(7-5-13)22-18(29)11-32-20-24-25-26-27(20)2/h4-10H,11H2,1-3H3,(H,21,28)(H,22,29)(H,23,30)
InChIKeyUVIHXCDBAAPYFC-UHFFFAOYSA-N
MW455.50 g/mol
LogP2.16
Rot. Bonds8

About N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 24666834) has the molecular formula C20H21N7O4S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID24666834
Molecular FormulaC20H21N7O4S
Molecular Weight455.50 g/mol
Exact Mass455.14
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)cc1NC(C)=O
InChIInChI=1S/C20H21N7O4S/c1-12(28)21-16-10-15(8-9-17(16)31-3)23-19(30)13-4-6-14(7-5-13)22-18(29)11-32-20-24-25-26-27(20)2/h4-10H,11H2,1-3H3,(H,21,28)(H,22,29)(H,23,30)
InChIKeyUVIHXCDBAAPYFC-UHFFFAOYSA-N
XLogP2.16
TPSA140.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977
N-cyclopropyl-3-[[4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide
CID 24610138
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
N-[2-(2,4-dimethylphenoxy)ethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 42023980
N-(2,4-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081017
N-[3-cyano-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 17324741
N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079968
N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844664
N-[cyclopropyl(phenyl)methyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 42890430
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2609128
N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387877
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 24513193

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 24666834) is N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is UVIHXCDBAAPYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O4S/c1-12(28)21-16-10-15(8-9-17(16)31-3)23-19(30)13-4-6-14(7-5-13)22-18(29)11-32-20-24-25-26-27(20)2/h4-10H,11H2,1-3H3,(H,21,28)(H,22,29)(H,23,30).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 455.50 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 24666834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).