2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C21H30N6OS — CID 9291680

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H30N6OS/c28-19(16-29-20-23-24-25-27(20)18-10-4-1-5-11-18)22-17-21(12-6-2-7-13-21)26-14-8-3-9-15-26/h1,4-5,10-11H,2-3,6-9,12-17H2,(H,22,28)
InChIKeyBXYGFLHSZHNVPV-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.06
Rot. Bonds7

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 9291680) has the molecular formula C21H30N6OS and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID9291680
Molecular FormulaC21H30N6OS
Molecular Weight414.58 g/mol
Exact Mass414.22
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H30N6OS/c28-19(16-29-20-23-24-25-27(20)18-10-4-1-5-11-18)22-17-21(12-6-2-7-13-21)26-14-8-3-9-15-26/h1,4-5,10-11H,2-3,6-9,12-17H2,(H,22,28)
InChIKeyBXYGFLHSZHNVPV-UHFFFAOYSA-N
XLogP3.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
N-benzyl-2-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2974484
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 647714
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-4-phenyl-4H-1,2,4-triazol-3-amine
CID 980303

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 9291680) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is O=C(CSc1nnnn1-c1ccccc1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is BXYGFLHSZHNVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6OS/c28-19(16-29-20-23-24-25-27(20)18-10-4-1-5-11-18)22-17-21(12-6-2-7-13-21)26-14-8-3-9-15-26/h1,4-5,10-11H,2-3,6-9,12-17H2,(H,22,28).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 414.58 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 9291680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).