N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C14H16N6O2S — CID 2630325

IUPACN-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C14H16N6O2S/c1-20-14(17-18-19-20)23-8-12(21)16-11-5-3-2-4-10(11)13(22)15-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,15,22)(H,16,21)
InChIKeyRJMPAXXLPYRXSR-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.83
Rot. Bonds6

About N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 2630325) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID2630325
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC NameN-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C14H16N6O2S/c1-20-14(17-18-19-20)23-8-12(21)16-11-5-3-2-4-10(11)13(22)15-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,15,22)(H,16,21)
InChIKeyRJMPAXXLPYRXSR-UHFFFAOYSA-N
XLogP0.83
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 973679
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
N-[(4-methylphenyl)methyl]-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2106059
N-cyclopropyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588477
2-[({[3-(Methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetyl)amino]benzamide
CID 6459372
N-methyl-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135706230
4-(5-Cyclohexylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071313
N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
CID 3228989
N-cyclopropyl-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 8988351
N-{4-[2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-phenyl}-acetamide
CID 656295
N-{4-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-phenyl}-acetamide
CID 1081026

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 2630325) is N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is RJMPAXXLPYRXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-20-14(17-18-19-20)23-8-12(21)16-11-5-3-2-4-10(11)13(22)15-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,15,22)(H,16,21).
What are the key properties of N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 332.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 2630325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).