N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide

C17H19N3O3S — CID 9227180

IUPACN-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C17H19N3O3S/c1-19(2)15(21)11-20(3)17(23)12-6-4-7-13(10-12)18-16(22)14-8-5-9-24-14/h4-10H,11H2,1-3H3,(H,18,22)
InChIKeyCUANBMQRDBCBHW-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.16
Rot. Bonds5

About N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9227180) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9227180
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C17H19N3O3S/c1-19(2)15(21)11-20(3)17(23)12-6-4-7-13(10-12)18-16(22)14-8-5-9-24-14/h4-10H,11H2,1-3H3,(H,18,22)
InChIKeyCUANBMQRDBCBHW-UHFFFAOYSA-N
XLogP2.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 51267589
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-[3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18111806
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30707274
N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 71898965
N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18113327
N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 8962004
N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 119553932

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 9227180) is N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(C)C(=O)CN(C)C(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is CUANBMQRDBCBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-19(2)15(21)11-20(3)17(23)12-6-4-7-13(10-12)18-16(22)14-8-5-9-24-14/h4-10H,11H2,1-3H3,(H,18,22).
What are the key properties of N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9227180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).