N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide

C19H25N3O3S2 — CID 139008424

IUPACN-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)N(C)C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H25N3O3S2/c1-20-27(24,25)17-11-18(26-14-17)19(23)21(2)16-9-6-10-22(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,14,16,20H,6,9-10,12-13H2,1-2H3
InChIKeyDHBUVEWIAKEIFO-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.39
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide

N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide (PubChem CID 139008424) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide
PubChem CID139008424
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)N(C)C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H25N3O3S2/c1-20-27(24,25)17-11-18(26-14-17)19(23)21(2)16-9-6-10-22(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,14,16,20H,6,9-10,12-13H2,1-2H3
InChIKeyDHBUVEWIAKEIFO-UHFFFAOYSA-N
XLogP2.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 25383007
N-(1-benzylpiperidin-3-yl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55655524
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
4-[(1-benzylpiperidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113239305
N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
CID 56876296
(3S)-1-benzyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 100777396
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
CID 95219246
N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
CID 139008017
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide (CID 139008424) is N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide is CNS(=O)(=O)c1csc(C(=O)N(C)C2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is DHBUVEWIAKEIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-20-27(24,25)17-11-18(26-14-17)19(23)21(2)16-9-6-10-22(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,11,14,16,20H,6,9-10,12-13H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide?
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 139008424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).