(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide

C18H30N3O3S+ — CID 8901543

IUPAC(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[NH+]2CCCC2)ccc1C
InChIInChI=1S/C18H29N3O3S/c1-5-21(6-2)25(23,24)17-13-16(10-9-14(17)3)19-18(22)15(4)20-11-7-8-12-20/h9-10,13,15H,5-8,11-12H2,1-4H3,(H,19,22)/p+1/t15-/m1/s1
InChIKeyPNXDGXYAJXEAFE-OAHLLOKOSA-O
MW368.52 g/mol
LogP1.03
Rot. Bonds7

About (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide

(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide (PubChem CID 8901543) has the molecular formula C18H30N3O3S+ and a molecular weight of 368.52 g/mol. Its IUPAC name is (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
PubChem CID8901543
Molecular FormulaC18H30N3O3S+
Molecular Weight368.52 g/mol
Exact Mass368.20
IUPAC Name(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[NH+]2CCCC2)ccc1C
InChIInChI=1S/C18H29N3O3S/c1-5-21(6-2)25(23,24)17-13-16(10-9-14(17)3)19-18(22)15(4)20-11-7-8-12-20/h9-10,13,15H,5-8,11-12H2,1-4H3,(H,19,22)/p+1/t15-/m1/s1
InChIKeyPNXDGXYAJXEAFE-OAHLLOKOSA-O
XLogP1.03
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 8899041
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 41293196
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772027
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8899039
ethyl 2-[1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]sulfanylacetate
CID 42971989
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40809914
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 43025784
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide?
The IUPAC name of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide (CID 8901543) is (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide?
The canonical SMILES for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[NH+]2CCCC2)ccc1C.
What is the InChIKey of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide?
The InChIKey is PNXDGXYAJXEAFE-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H29N3O3S/c1-5-21(6-2)25(23,24)17-13-16(10-9-14(17)3)19-18(22)15(4)20-11-7-8-12-20/h9-10,13,15H,5-8,11-12H2,1-4H3,(H,19,22)/p+1/t15-/m1/s1.
What are the key properties of (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide?
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide has a molecular weight of 368.52 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 8901543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).