N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide

C19H31N3O3S — CID 8930625

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)18-9-7-8-17(11-18)20-19(23)14-21-12-15(3)10-16(4)13-21/h7-9,11,15-16H,5-6,10,12-14H2,1-4H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyILPIWNFDXVBWCH-HOTGVXAUSA-N
MW381.54 g/mol
LogP2.63
Rot. Bonds7

About N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide (PubChem CID 8930625) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
PubChem CID8930625
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)18-9-7-8-17(11-18)20-19(23)14-21-12-15(3)10-16(4)13-21/h7-9,11,15-16H,5-6,10,12-14H2,1-4H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyILPIWNFDXVBWCH-HOTGVXAUSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
N-[4-(diethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681860
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499255
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7810409
N-[3-(diethylsulfamoyl)phenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide
CID 55987245
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-methylpentanamide
CID 8883963
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46602367

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide (CID 8930625) is N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The InChIKey is ILPIWNFDXVBWCH-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)18-9-7-8-17(11-18)20-19(23)14-21-12-15(3)10-16(4)13-21/h7-9,11,15-16H,5-6,10,12-14H2,1-4H3,(H,20,23)/t15-,16-/m0/s1.
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide has a molecular weight of 381.54 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8930625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).