N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C18H21N3O4S2 — CID 55614476

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H21N3O4S2/c19-16(22)12-13-4-6-14(7-5-13)20-18(23)17-15(8-11-26-17)27(24,25)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H2,19,22)(H,20,23)
InChIKeySNNGFSJVSCAXLR-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.20
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 55614476) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID55614476
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H21N3O4S2/c19-16(22)12-13-4-6-14(7-5-13)20-18(23)17-15(8-11-26-17)27(24,25)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H2,19,22)(H,20,23)
InChIKeySNNGFSJVSCAXLR-UHFFFAOYSA-N
XLogP2.20
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
N-[4-(dimethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55523013
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55714996
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967
N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 37400093
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39280812
N-(6-methoxy-3-pyridinyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665715
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 53076940
(2-amino-2-oxoethyl) 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 33079593
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665731

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 55614476) is N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is NC(=O)Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is SNNGFSJVSCAXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c19-16(22)12-13-4-6-14(7-5-13)20-18(23)17-15(8-11-26-17)27(24,25)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H2,19,22)(H,20,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55614476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).