4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide

C18H29N3O3S — CID 8839766

IUPAC4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-20-13-7-8-16(20)14-19-18(22)15-9-11-17(12-10-15)25(23,24)21(5-2)6-3/h9-12,16H,4-8,13-14H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyURKIEXLLJQQXGV-INIZCTEOSA-N
MW367.52 g/mol
LogP1.93
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide

4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 8839766) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
PubChem CID8839766
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-20-13-7-8-16(20)14-19-18(22)15-9-11-17(12-10-15)25(23,24)21(5-2)6-3/h9-12,16H,4-8,13-14H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyURKIEXLLJQQXGV-INIZCTEOSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-4-(diethylsulfamoyl)benzamide
CID 90619125
4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 67192929
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 129051547
2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
CID 126426041
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide (CID 8839766) is 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide is CCN1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is URKIEXLLJQQXGV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-20-13-7-8-16(20)14-19-18(22)15-9-11-17(12-10-15)25(23,24)21(5-2)6-3/h9-12,16H,4-8,13-14H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide?
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 367.52 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 8839766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).