N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C13H16N6O2S — CID 9445190

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nnnn2C)cc1C
InChIInChI=1S/C13H16N6O2S/c1-8-4-5-10(6-9(8)2)14-12(21)15-11(20)7-22-13-16-17-18-19(13)3/h4-6H,7H2,1-3H3,(H2,14,15,20,21)
InChIKeyAVWKVSHWBUMPPO-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.27
Rot. Bonds4

About N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 9445190) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID9445190
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nnnn2C)cc1C
InChIInChI=1S/C13H16N6O2S/c1-8-4-5-10(6-9(8)2)14-12(21)15-11(20)7-22-13-16-17-18-19(13)3/h4-6H,7H2,1-3H3,(H2,14,15,20,21)
InChIKeyAVWKVSHWBUMPPO-UHFFFAOYSA-N
XLogP1.27
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 24521916
N-[(3,4-dimethylphenyl)carbamoyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 24522419
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 1147151
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 27272546
3-[3-cyclopropyl-5-[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
CID 24621263
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27160155
N-[(3,4-dimethylphenyl)carbamoyl]-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 31802109
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021873

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 9445190) is N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cc1ccc(NC(=O)NC(=O)CSc2nnnn2C)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is AVWKVSHWBUMPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-8-4-5-10(6-9(8)2)14-12(21)15-11(20)7-22-13-16-17-18-19(13)3/h4-6H,7H2,1-3H3,(H2,14,15,20,21).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 320.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 9445190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).