N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

C21H35N5OS — CID 3870642

IUPACN,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H35N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h17-19H,1-16H2
InChIKeyPSEGRZBADAQZLG-UHFFFAOYSA-N
MW405.61 g/mol
LogP4.76
Rot. Bonds6

About N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3870642) has the molecular formula C21H35N5OS and a molecular weight of 405.61 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
PubChem CID3870642
Molecular FormulaC21H35N5OS
Molecular Weight405.61 g/mol
Exact Mass405.26
IUPAC NameN,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H35N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h17-19H,1-16H2
InChIKeyPSEGRZBADAQZLG-UHFFFAOYSA-N
XLogP4.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide 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

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
CID 47124350
N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 24521893
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 1440826
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide
CID 859358
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 46639205
N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 47134608

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (CID 3870642) is N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CCCCC1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PSEGRZBADAQZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h17-19H,1-16H2.
What are the key properties of N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 405.61 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3870642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).