N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide

C21H24N6O4S — CID 3192836

IUPACN-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C21H24N6O4S/c1-31-16-10-12-17(13-11-16)32(29,30)25-19-9-5-4-8-18(19)21-23-26-27(24-21)14-20(28)22-15-6-2-3-7-15/h4-5,8-13,15,25H,2-3,6-7,14H2,1H3,(H,22,28)
InChIKeyYFOWNZVARBXKOZ-UHFFFAOYSA-N
MW456.53 g/mol
LogP2.21
Rot. Bonds8

About N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide

N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide (PubChem CID 3192836) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
PubChem CID3192836
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C21H24N6O4S/c1-31-16-10-12-17(13-11-16)32(29,30)25-19-9-5-4-8-18(19)21-23-26-27(24-21)14-20(28)22-15-6-2-3-7-15/h4-5,8-13,15,25H,2-3,6-7,14H2,1H3,(H,22,28)
InChIKeyYFOWNZVARBXKOZ-UHFFFAOYSA-N
XLogP2.21
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide
CID 3744238
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756
N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
CID 3744341
2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1463812
N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
N-cyclohexyl-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetamide
CID 1136538
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
N-cyclohexyl-2-[5-(4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
CID 18524845
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377
4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229791

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide (CID 3192836) is N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide is COc1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide?
The InChIKey is YFOWNZVARBXKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-31-16-10-12-17(13-11-16)32(29,30)25-19-9-5-4-8-18(19)21-23-26-27(24-21)14-20(28)22-15-6-2-3-7-15/h4-5,8-13,15,25H,2-3,6-7,14H2,1H3,(H,22,28).
What are the key properties of N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide?
N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide has a molecular weight of 456.53 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3192836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).