N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide

C17H23N3O5S — CID 34100038

IUPACN-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23N3O5S/c1-18-16(21)13-4-6-14(7-5-13)26(23,24)20-8-2-3-15(20)17(22)19-9-11-25-12-10-19/h4-7,15H,2-3,8-12H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyZQEQKRUCCNSHNZ-HNNXBMFYSA-N
MW381.45 g/mol
LogP0.06
Rot. Bonds4

About N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide

N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide (PubChem CID 34100038) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide
PubChem CID34100038
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23N3O5S/c1-18-16(21)13-4-6-14(7-5-13)26(23,24)20-8-2-3-15(20)17(22)19-9-11-25-12-10-19/h4-7,15H,2-3,8-12H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyZQEQKRUCCNSHNZ-HNNXBMFYSA-N
XLogP0.06
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 45307785
[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 55601195
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 115312365
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 25492943
methyl 1-methyl-4-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 53004018
[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307385
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516
[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286067
N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide
CID 95787435
2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide
CID 112684499
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide (CID 34100038) is N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide is CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide?
The InChIKey is ZQEQKRUCCNSHNZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-18-16(21)13-4-6-14(7-5-13)26(23,24)20-8-2-3-15(20)17(22)19-9-11-25-12-10-19/h4-7,15H,2-3,8-12H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide?
N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide has a molecular weight of 381.45 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 34100038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).