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

C19H30N4O4S — CID 9293100

IUPAC3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide
SMILESCCCN1CCC(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)
InChIKeySNRABSZPQRTDPV-UHFFFAOYSA-N
MW410.54 g/mol
LogP0.66
Rot. Bonds8

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

3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide (PubChem CID 9293100) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide
PubChem CID9293100
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide
SMILESCCCN1CCC(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)
InChIKeySNRABSZPQRTDPV-UHFFFAOYSA-N
XLogP0.66
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-1-ium-4-yl)amino]ethyl]benzamide
CID 9293099
3-(dimethylsulfamoyl)-N-[2-[[3-(3-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 146127558
3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960567
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]thiophene-2-carboxamide
CID 9264745
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide (CID 9293100) is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide is CCCN1CCC(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-4-yl)amino]ethyl]benzamide?
The InChIKey is SNRABSZPQRTDPV-UHFFFAOYSA-N. 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).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 9293100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).