N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide

C16H24ClN3O3S — CID 78087279

IUPACN-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CC(NS(C)(=O)=O)C(C(C)C)C1
InChIInChI=1S/C16H24ClN3O3S/c1-10(2)13-8-20(9-15(13)19-24(4,22)23)16(21)18-14-6-5-12(17)7-11(14)3/h5-7,10,13,15,19H,8-9H2,1-4H3,(H,18,21)
InChIKeyFQGPTFHCNGVRQR-UHFFFAOYSA-N
MW373.91 g/mol
LogP2.69
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide

N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 78087279) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID78087279
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CC(NS(C)(=O)=O)C(C(C)C)C1
InChIInChI=1S/C16H24ClN3O3S/c1-10(2)13-8-20(9-15(13)19-24(4,22)23)16(21)18-14-6-5-12(17)7-11(14)3/h5-7,10,13,15,19H,8-9H2,1-4H3,(H,18,21)
InChIKeyFQGPTFHCNGVRQR-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-N-(4-chloro-2-methylphenyl)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carboxamide
CID 72873398
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682712
(1S,5R)-N-(4-chloro-2-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 70722894
N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide
CID 154861542
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
5-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602241
(3aS,7R,7aR)-N-(4-chloro-2-methylphenyl)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide
CID 135108794
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide (CID 78087279) is N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)N1CC(NS(C)(=O)=O)C(C(C)C)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is FQGPTFHCNGVRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-10(2)13-8-20(9-15(13)19-24(4,22)23)16(21)18-14-6-5-12(17)7-11(14)3/h5-7,10,13,15,19H,8-9H2,1-4H3,(H,18,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 373.91 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 78087279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).