3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide

C19H23ClN2OS — CID 119047224

IUPAC3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2scc(C)c2Cl)CC1
InChIInChI=1S/C19H23ClN2OS/c1-13-5-3-4-6-15(13)11-22-9-7-16(8-10-22)21-19(23)18-17(20)14(2)12-24-18/h3-6,12,16H,7-11H2,1-2H3,(H,21,23)
InChIKeySLEQHPZYCONBIQ-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.41
Rot. Bonds4

About 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide

3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 119047224) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID119047224
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2scc(C)c2Cl)CC1
InChIInChI=1S/C19H23ClN2OS/c1-13-5-3-4-6-15(13)11-22-9-7-16(8-10-22)21-19(23)18-17(20)14(2)12-24-18/h3-6,12,16H,7-11H2,1-2H3,(H,21,23)
InChIKeySLEQHPZYCONBIQ-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 136577828
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2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
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N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141
3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
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1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55867113
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55754112
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide (CID 119047224) is 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide is Cc1ccccc1CN1CCC(NC(=O)c2scc(C)c2Cl)CC1.
What is the InChIKey of 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is SLEQHPZYCONBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-13-5-3-4-6-15(13)11-22-9-7-16(8-10-22)21-19(23)18-17(20)14(2)12-24-18/h3-6,12,16H,7-11H2,1-2H3,(H,21,23).
What are the key properties of 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide?
3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 362.93 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 119047224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).