N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide

C18H22N2O3S3 — CID 131926103

IUPACN-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCC(Sc3cccc(C)c3)CC2)cs1
InChIInChI=1S/C18H22N2O3S3/c1-13-4-3-5-15(10-13)25-14-6-8-20(9-7-14)26(22,23)16-11-17(24-12-16)18(21)19-2/h3-5,10-12,14H,6-9H2,1-2H3,(H,19,21)
InChIKeyQWCLFLMLQZTNOU-UHFFFAOYSA-N
MW410.59 g/mol
LogP3.36
Rot. Bonds5

About N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide

N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 131926103) has the molecular formula C18H22N2O3S3 and a molecular weight of 410.59 g/mol. Its IUPAC name is N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID131926103
Molecular FormulaC18H22N2O3S3
Molecular Weight410.59 g/mol
Exact Mass410.08
IUPAC NameN-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCC(Sc3cccc(C)c3)CC2)cs1
InChIInChI=1S/C18H22N2O3S3/c1-13-4-3-5-15(10-13)25-14-6-8-20(9-7-14)26(22,23)16-11-17(24-12-16)18(21)19-2/h3-5,10-12,14H,6-9H2,1-2H3,(H,19,21)
InChIKeyQWCLFLMLQZTNOU-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)thiophene-2-carboxamide
CID 6503829
2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid
CID 171355035
4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide
CID 131910809
N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503499
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503315
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 70745652

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide (CID 131926103) is N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCC(Sc3cccc(C)c3)CC2)cs1.
What is the InChIKey of N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is QWCLFLMLQZTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S3/c1-13-4-3-5-15(10-13)25-14-6-8-20(9-7-14)26(22,23)16-11-17(24-12-16)18(21)19-2/h3-5,10-12,14H,6-9H2,1-2H3,(H,19,21).
What are the key properties of N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide?
N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 410.59 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 131926103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).