N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide

C24H24ClN3O2S — CID 27673293

IUPACN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H24ClN3O2S/c25-20-9-8-18(15-21(20)27-24(30)22-7-4-14-31-22)23(29)26-19-10-12-28(13-11-19)16-17-5-2-1-3-6-17/h1-9,14-15,19H,10-13,16H2,(H,26,29)(H,27,30)
InChIKeyOUCFZFMEEKDTRK-UHFFFAOYSA-N
MW454.00 g/mol
LogP5.05
Rot. Bonds6

About N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide

N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 27673293) has the molecular formula C24H24ClN3O2S and a molecular weight of 454.00 g/mol. Its IUPAC name is N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID27673293
Molecular FormulaC24H24ClN3O2S
Molecular Weight454.00 g/mol
Exact Mass453.13
IUPAC NameN-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H24ClN3O2S/c25-20-9-8-18(15-21(20)27-24(30)22-7-4-14-31-22)23(29)26-19-10-12-28(13-11-19)16-17-5-2-1-3-6-17/h1-9,14-15,19H,10-13,16H2,(H,26,29)(H,27,30)
InChIKeyOUCFZFMEEKDTRK-UHFFFAOYSA-N
XLogP5.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 112826553
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
N-[5-[(benzylcarbamothioylamino)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 26837214
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548585
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
CID 117088807
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 56558502
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43044364

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide (CID 27673293) is N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is OUCFZFMEEKDTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2S/c25-20-9-8-18(15-21(20)27-24(30)22-7-4-14-31-22)23(29)26-19-10-12-28(13-11-19)16-17-5-2-1-3-6-17/h1-9,14-15,19H,10-13,16H2,(H,26,29)(H,27,30).
What are the key properties of N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 454.00 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27673293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).