3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide

C19H31N4O4S+ — CID 9293099

IUPAC3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide
SMILESCCC[NH+]1CCC(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C19H30N4O4S/c1-4-10-23-11-8-16(9-12-23)21-18(24)14-20-19(25)15-6-5-7-17(13-15)28(26,27)22(2)3/h5-7,13,16H,4,8-12,14H2,1-3H3,(H,20,25)(H,21,24)/p+1
InChIKeySNRABSZPQRTDPV-UHFFFAOYSA-O
MW411.55 g/mol
LogP-0.76
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide (PubChem CID 9293099) has the molecular formula C19H31N4O4S+ and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide
PubChem CID9293099
Molecular FormulaC19H31N4O4S+
Molecular Weight411.55 g/mol
Exact Mass411.21
IUPAC Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide
SMILESCCC[NH+]1CCC(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C19H30N4O4S/c1-4-10-23-11-8-16(9-12-23)21-18(24)14-20-19(25)15-6-5-7-17(13-15)28(26,27)22(2)3/h5-7,13,16H,4,8-12,14H2,1-3H3,(H,20,25)(H,21,24)/p+1
InChIKeySNRABSZPQRTDPV-UHFFFAOYSA-O
XLogP-0.76
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide
CID 9293100
3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 146127558
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
CID 55483864
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
CID 125073112

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide (CID 9293099) is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide is CCC[NH+]1CCC(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide?
The InChIKey is SNRABSZPQRTDPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30N4O4S/c1-4-10-23-11-8-16(9-12-23)21-18(24)14-20-19(25)15-6-5-7-17(13-15)28(26,27)22(2)3/h5-7,13,16H,4,8-12,14H2,1-3H3,(H,20,25)(H,21,24)/p+1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide has a molecular weight of 411.55 g/mol, XLogP of -0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 9293099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).