N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide

C12H13N5O2S — CID 1081026

IUPACN-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H13N5O2S/c1-8(18)13-10-5-3-9(4-6-10)11(19)7-20-12-14-15-16-17(12)2/h3-6H,7H2,1-2H3,(H,13,18)
InChIKeyRYENMDCPZGOHKN-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.14
Rot. Bonds5

About N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide

N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide (PubChem CID 1081026) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
PubChem CID1081026
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H13N5O2S/c1-8(18)13-10-5-3-9(4-6-10)11(19)7-20-12-14-15-16-17(12)2/h3-6H,7H2,1-2H3,(H,13,18)
InChIKeyRYENMDCPZGOHKN-UHFFFAOYSA-N
XLogP1.14
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
4-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1330757
N-(4-Acetylphenyl)-2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 2038919
2-[[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 973679
4-(5-Phenylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071312
N-(4-methylphenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzamide
CID 851613
N-(2-fluorophenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}benzamide
CID 977269
4-[[2-[(4-Phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 2097090
N-[(4-methylphenyl)methyl]-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2106059
N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2368202
N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2630325
N-(4-acetylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2712498

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide (CID 1081026) is N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nnnn2C)cc1.
What is the InChIKey of N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The InChIKey is RYENMDCPZGOHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-8(18)13-10-5-3-9(4-6-10)11(19)7-20-12-14-15-16-17(12)2/h3-6H,7H2,1-2H3,(H,13,18).
What are the key properties of N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide has a molecular weight of 291.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 1081026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).