N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C20H25ClN2O2S — CID 43005371

IUPACN-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H25ClN2O2S/c1-13(2)6-4-7-14(3)22-19(24)15-9-10-16(21)17(12-15)23-20(25)18-8-5-11-26-18/h5,8-14H,4,6-7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLWXPSKQJWGBHQQ-UHFFFAOYSA-N
MW392.95 g/mol
LogP5.60
Rot. Bonds8

About N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 43005371) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID43005371
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC NameN-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H25ClN2O2S/c1-13(2)6-4-7-14(3)22-19(24)15-9-10-16(21)17(12-15)23-20(25)18-8-5-11-26-18/h5,8-14H,4,6-7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLWXPSKQJWGBHQQ-UHFFFAOYSA-N
XLogP5.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.95
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid
CID 102561133
N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55666154
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
2-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192813
N-[5-[[(1S)-1-(1-adamantyl)ethyl]carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41152356
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55579282
N-[2-chloro-5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55360579
N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43062296
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-[2-(diethylamino)ethyl-(2-methylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60557294
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 43005371) is N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide is CC(C)CCCC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is LWXPSKQJWGBHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-13(2)6-4-7-14(3)22-19(24)15-9-10-16(21)17(12-15)23-20(25)18-8-5-11-26-18/h5,8-14H,4,6-7H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 392.95 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 43005371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).