N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C23H31N3O3S2 — CID 55714996

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C23H31N3O3S2/c1-18-6-5-12-25(16-18)17-19-7-9-20(10-8-19)24-23(27)22-21(11-15-30-22)31(28,29)26-13-3-2-4-14-26/h7-11,15,18H,2-6,12-14,16-17H2,1H3,(H,24,27)
InChIKeyJTTRALWDXBYVAP-UHFFFAOYSA-N
MW461.65 g/mol
LogP4.41
Rot. Bonds6

About N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 55714996) has the molecular formula C23H31N3O3S2 and a molecular weight of 461.65 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID55714996
Molecular FormulaC23H31N3O3S2
Molecular Weight461.65 g/mol
Exact Mass461.18
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C23H31N3O3S2/c1-18-6-5-12-25(16-18)17-19-7-9-20(10-8-19)24-23(27)22-21(11-15-30-22)31(28,29)26-13-3-2-4-14-26/h7-11,15,18H,2-6,12-14,16-17H2,1H3,(H,24,27)
InChIKeyJTTRALWDXBYVAP-UHFFFAOYSA-N
XLogP4.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55614476
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
3-[(3R)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide
CID 26585376
3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide
CID 26585377
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-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 37400093
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 53076940
3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 22108462

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 55714996) is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is CC1CCCN(Cc2ccc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)cc2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is JTTRALWDXBYVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S2/c1-18-6-5-12-25(16-18)17-19-7-9-20(10-8-19)24-23(27)22-21(11-15-30-22)31(28,29)26-13-3-2-4-14-26/h7-11,15,18H,2-6,12-14,16-17H2,1H3,(H,24,27).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 461.65 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55714996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).