N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C22H20ClN3O4S — CID 30860283

IUPACN-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-26(2)20(27)13-30-16-8-6-15(7-9-16)24-21(28)14-5-10-17(23)18(12-14)25-22(29)19-4-3-11-31-19/h3-12H,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUMTINJYSHOHKCD-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.37
Rot. Bonds7

About N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 30860283) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID30860283
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC NameN-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-26(2)20(27)13-30-16-8-6-15(7-9-16)24-21(28)14-5-10-17(23)18(12-14)25-22(29)19-4-3-11-31-19/h3-12H,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUMTINJYSHOHKCD-UHFFFAOYSA-N
XLogP4.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[2-chloro-5-[(2,5-diethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26682667
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[2-chloro-5-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 39043632
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
ethyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]benzoate
CID 34201771
N-[5-[2-(4-butoxyphenyl)ethylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 55869328
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 60573563
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 78776503
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-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 30860283) is N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is CN(C)C(=O)COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is UMTINJYSHOHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-26(2)20(27)13-30-16-8-6-15(7-9-16)24-21(28)14-5-10-17(23)18(12-14)25-22(29)19-4-3-11-31-19/h3-12H,13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 457.94 g/mol, XLogP of 4.37, 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-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30860283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).