N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide

C22H25ClN6O3S — CID 53317109

IUPACN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide
SMILESCc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(C2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C22H25ClN6O3S/c1-15-9-16(12-20(10-15)29(33(2,31)32)19-5-3-4-6-19)22(30)24-13-17-11-18(23)7-8-21(17)28-14-25-26-27-28/h7-12,14,19H,3-6,13H2,1-2H3,(H,24,30)
InChIKeyHFTLZNIOMKKSLJ-UHFFFAOYSA-N
MW489.00 g/mol
LogP3.26
Rot. Bonds7

About N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide (PubChem CID 53317109) has the molecular formula C22H25ClN6O3S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide
PubChem CID53317109
Molecular FormulaC22H25ClN6O3S
Molecular Weight489.00 g/mol
Exact Mass488.14
IUPAC NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide
SMILESCc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(C2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C22H25ClN6O3S/c1-15-9-16(12-20(10-15)29(33(2,31)32)19-5-3-4-6-19)22(30)24-13-17-11-18(23)7-8-21(17)28-14-25-26-27-28/h7-12,14,19H,3-6,13H2,1-2H3,(H,24,30)
InChIKeyHFTLZNIOMKKSLJ-UHFFFAOYSA-N
XLogP3.26
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-Chloro-2-tetrazol-1-yl-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10165288
N1-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-N3,N3-diisobutyl-5-methylisophthalamide
CID 51003506
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclohexyl(methylsulfonyl)amino]-5-methylbenzamide
CID 53326298
3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide
CID 45488654
N-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-3-(4-isobutylpiperidin-3-yl)-5-methylbenzamide
CID 53323725
N-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-3-(N-cyclohexylacetamido)-5-methylbenzamide
CID 53323726
N-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-3-(cyclohexylamino)-5-methylbenzamide
CID 53324132
3-((2-aminoethyl)(cyclohexyl)amino)-N-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-5-methylbenzamide
CID 53325004
N1-(5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl)-N3,N3-diisobutyl-5-methylisophthalamide
CID 53326296
N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 9115033
US10081623, Example 28
CID 118916517
US10081623, Example 27
CID 131974316

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide?
The IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide (CID 53317109) is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide.
What is the SMILES notation for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide?
The canonical SMILES for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide is Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(C2CCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide?
The InChIKey is HFTLZNIOMKKSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O3S/c1-15-9-16(12-20(10-15)29(33(2,31)32)19-5-3-4-6-19)22(30)24-13-17-11-18(23)7-8-21(17)28-14-25-26-27-28/h7-12,14,19H,3-6,13H2,1-2H3,(H,24,30).
What are the key properties of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide?
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide has a molecular weight of 489.00 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide is sourced from PubChem (CID 53317109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).