N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide

C14H20N2O3S — CID 124613574

IUPACN,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N(C)[C@H]2CCNC2)cc1S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-10-4-5-11(8-13(10)20(3,18)19)14(17)16(2)12-6-7-15-9-12/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyKTOZIBLKDNALKA-LBPRGKRZSA-N
MW296.39 g/mol
LogP0.83
Rot. Bonds3

About N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide

N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 124613574) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID124613574
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N(C)[C@H]2CCNC2)cc1S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-10-4-5-11(8-13(10)20(3,18)19)14(17)16(2)12-6-7-15-9-12/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyKTOZIBLKDNALKA-LBPRGKRZSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
N,4-dimethyl-N-pyrrolidin-3-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrochloride
CID 176731387
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
CID 63641936

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 124613574) is N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide is Cc1ccc(C(=O)N(C)[C@H]2CCNC2)cc1S(C)(=O)=O.
What is the InChIKey of N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is KTOZIBLKDNALKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-4-5-11(8-13(10)20(3,18)19)14(17)16(2)12-6-7-15-9-12/h4-5,8,12,15H,6-7,9H2,1-3H3/t12-/m0/s1.
What are the key properties of N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 296.39 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 124613574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).