N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C16H23N3O4S — CID 9301531

IUPACN-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H23N3O4S/c1-12(2)18-15(20)11-17-16(21)13-6-5-7-14(10-13)24(22,23)19-8-3-4-9-19/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyALHZGAHUCHSMPL-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.73
Rot. Bonds6

About N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9301531) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9301531
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H23N3O4S/c1-12(2)18-15(20)11-17-16(21)13-6-5-7-14(10-13)24(22,23)19-8-3-4-9-19/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyALHZGAHUCHSMPL-UHFFFAOYSA-N
XLogP0.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9301375
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
N-(3-amino-2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119996017
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
2,2-dimethyl-3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119250284

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 9301531) is N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is CC(C)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ALHZGAHUCHSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-12(2)18-15(20)11-17-16(21)13-6-5-7-14(10-13)24(22,23)19-8-3-4-9-19/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 353.44 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9301531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).