N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

C17H19ClN2O3S2 — CID 6503538

IUPACN-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C17H19ClN2O3S2/c1-12-3-2-8-20(10-12)25(22,23)15-9-16(24-11-15)17(21)19-14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,19,21)
InChIKeyQBILVISKLPEJMC-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.07
Rot. Bonds4

About N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 6503538) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID6503538
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC NameN-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C17H19ClN2O3S2/c1-12-3-2-8-20(10-12)25(22,23)15-9-16(24-11-15)17(21)19-14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,19,21)
InChIKeyQBILVISKLPEJMC-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503563
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503536
2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
CID 6503539
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (CID 6503538) is N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is CC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is QBILVISKLPEJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-12-3-2-8-20(10-12)25(22,23)15-9-16(24-11-15)17(21)19-14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 398.94 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).