N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C24H18ClN3O2S2 — CID 46669143

IUPACN-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H18ClN3O2S2/c25-20-10-5-17(13-21(20)28-24(30)22-4-2-12-31-22)23(29)27-18-6-8-19(9-7-18)32-15-16-3-1-11-26-14-16/h1-14H,15H2,(H,27,29)(H,28,30)
InChIKeyGXTSHNDYHFHLQO-UHFFFAOYSA-N
MW480.01 g/mol
LogP6.59
Rot. Bonds7

About N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 46669143) has the molecular formula C24H18ClN3O2S2 and a molecular weight of 480.01 g/mol. Its IUPAC name is N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID46669143
Molecular FormulaC24H18ClN3O2S2
Molecular Weight480.01 g/mol
Exact Mass479.05
IUPAC NameN-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H18ClN3O2S2/c25-20-10-5-17(13-21(20)28-24(30)22-4-2-12-31-22)23(29)27-18-6-8-19(9-7-18)32-15-16-3-1-11-26-14-16/h1-14H,15H2,(H,27,29)(H,28,30)
InChIKeyGXTSHNDYHFHLQO-UHFFFAOYSA-N
XLogP6.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26591240
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37122573
N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46652846
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55684932
4-chloro-3-(pyridin-3-ylmethylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide
CID 130397502
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 36542663
N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55826534

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 46669143) is N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is GXTSHNDYHFHLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2S2/c25-20-10-5-17(13-21(20)28-24(30)22-4-2-12-31-22)23(29)27-18-6-8-19(9-7-18)32-15-16-3-1-11-26-14-16/h1-14H,15H2,(H,27,29)(H,28,30).
What are the key properties of N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 6.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46669143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).