2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide

C16H22N6O3S2 — CID 56582628

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C16H22N6O3S2/c1-21(2)27(24,25)14-10-6-5-9-13(14)17-15(23)11-26-16-18-19-20-22(16)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,23)
InChIKeyKVFLIILNUINULH-UHFFFAOYSA-N
MW410.53 g/mol
LogP1.77
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 56582628) has the molecular formula C16H22N6O3S2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID56582628
Molecular FormulaC16H22N6O3S2
Molecular Weight410.53 g/mol
Exact Mass410.12
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C16H22N6O3S2/c1-21(2)27(24,25)14-10-6-5-9-13(14)17-15(23)11-26-16-18-19-20-22(16)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,23)
InChIKeyKVFLIILNUINULH-UHFFFAOYSA-N
XLogP1.77
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 24522799
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
methyl 3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]naphthalene-2-carboxylate
CID 56535103
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 18098917
N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 51244889
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 56536012
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 31813598
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 31821740

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide (CID 56582628) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is KVFLIILNUINULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S2/c1-21(2)27(24,25)14-10-6-5-9-13(14)17-15(23)11-26-16-18-19-20-22(16)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,23).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 410.53 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 56582628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).