N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

C23H24ClN3O3S — CID 42907184

IUPACN-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N(C)C)c1
InChIInChI=1S/C23H24ClN3O3S/c1-27(2)20(15-6-4-7-17(12-15)30-3)14-25-22(28)16-9-10-18(24)19(13-16)26-23(29)21-8-5-11-31-21/h4-13,20H,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAFLXHEMHCKGKGH-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.70
Rot. Bonds8

About N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 42907184) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID42907184
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N(C)C)c1
InChIInChI=1S/C23H24ClN3O3S/c1-27(2)20(15-6-4-7-17(12-15)30-3)14-25-22(28)16-9-10-18(24)19(13-16)26-23(29)21-8-5-11-31-21/h4-13,20H,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAFLXHEMHCKGKGH-UHFFFAOYSA-N
XLogP4.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27859245
N-[3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 43044965
N-[2-chloro-5-[(2-morpholin-4-yl-2-phenylethyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43057563
5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 51150957
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 55337352
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 42907184) is N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1cccc(C(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)N(C)C)c1.
What is the InChIKey of N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is AFLXHEMHCKGKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-27(2)20(15-6-4-7-17(12-15)30-3)14-25-22(28)16-9-10-18(24)19(13-16)26-23(29)21-8-5-11-31-21/h4-13,20H,14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 457.98 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 42907184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).