(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide

C23H21ClN6O3S — CID 11620236

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide
SMILESCn1nnc(-c2ccc(CN([C@@H](C(N)=O)c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C23H21ClN6O3S/c1-29-27-23(26-28-29)18-9-7-16(8-10-18)15-30(21(22(25)31)17-5-3-2-4-6-17)34(32,33)20-13-11-19(24)12-14-20/h2-14,21H,15H2,1H3,(H2,25,31)/t21-/m1/s1
InChIKeyXIOVYRYDTDGYGU-OAQYLSRUSA-N
MW496.98 g/mol
LogP2.95
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide (PubChem CID 11620236) has the molecular formula C23H21ClN6O3S and a molecular weight of 496.98 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide
PubChem CID11620236
Molecular FormulaC23H21ClN6O3S
Molecular Weight496.98 g/mol
Exact Mass496.11
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide
SMILESCn1nnc(-c2ccc(CN([C@@H](C(N)=O)c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C23H21ClN6O3S/c1-29-27-23(26-28-29)18-9-7-16(8-10-18)15-30(21(22(25)31)17-5-3-2-4-6-17)34(32,33)20-13-11-19(24)12-14-20/h2-14,21H,15H2,1H3,(H2,25,31)/t21-/m1/s1
InChIKeyXIOVYRYDTDGYGU-OAQYLSRUSA-N
XLogP2.95
TPSA124.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075505
2-[(4-chlorophenyl)sulfonyl-[(3,5-dimethylphenyl)methyl]amino]-2-phenylacetamide
CID 21075494
3-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
CID 21075529
2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075524
2-[(4-chlorophenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]-2-phenylacetamide
CID 21075502
2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075497
2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide
CID 140563090
2-[(4-chlorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075487
2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075488
2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methyl-(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 21075566
methyl 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzoate
CID 69318790
2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide (CID 11620236) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide is Cn1nnc(-c2ccc(CN([C@@H](C(N)=O)c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide?
The InChIKey is XIOVYRYDTDGYGU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21ClN6O3S/c1-29-27-23(26-28-29)18-9-7-16(8-10-18)15-30(21(22(25)31)17-5-3-2-4-6-17)34(32,33)20-13-11-19(24)12-14-20/h2-14,21H,15H2,1H3,(H2,25,31)/t21-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide has a molecular weight of 496.98 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 11620236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).