(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C22H24N6O3S — CID 41181462

IUPAC(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C22H24N6O3S/c1-15-7-11-19(12-8-15)32(30,31)27-13-3-6-20(27)22(29)23-17-5-2-4-16(14-17)21-24-25-26-28(21)18-9-10-18/h2,4-5,7-8,11-12,14,18,20H,3,6,9-10,13H2,1H3,(H,23,29)/t20-/m0/s1
InChIKeyLFTMIOCRWCJIJN-FQEVSTJZSA-N
MW452.54 g/mol
LogP2.78
Rot. Bonds6

About (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 41181462) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID41181462
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C22H24N6O3S/c1-15-7-11-19(12-8-15)32(30,31)27-13-3-6-20(27)22(29)23-17-5-2-4-16(14-17)21-24-25-26-28(21)18-9-10-18/h2,4-5,7-8,11-12,14,18,20H,3,6,9-10,13H2,1H3,(H,23,29)/t20-/m0/s1
InChIKeyLFTMIOCRWCJIJN-FQEVSTJZSA-N
XLogP2.78
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)pyrrolidine-2-carboxamide
CID 16924892
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 55940289
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 25365977
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15944827
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 41181462) is (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1.
What is the InChIKey of (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is LFTMIOCRWCJIJN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-15-7-11-19(12-8-15)32(30,31)27-13-3-6-20(27)22(29)23-17-5-2-4-16(14-17)21-24-25-26-28(21)18-9-10-18/h2,4-5,7-8,11-12,14,18,20H,3,6,9-10,13H2,1H3,(H,23,29)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 41181462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).