N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C18H21N3O4S — CID 25161773

IUPACN-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C18H21N3O4S/c1-12-7-8-15(26-12)18(24)19-10-17(23)21(2)11-16(22)20-13-5-4-6-14(9-13)25-3/h4-9H,10-11H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyKVIISIYLLRKEEY-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.89
Rot. Bonds7

About N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 25161773) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID25161773
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C18H21N3O4S/c1-12-7-8-15(26-12)18(24)19-10-17(23)21(2)11-16(22)20-13-5-4-6-14(9-13)25-3/h4-9H,10-11H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyKVIISIYLLRKEEY-UHFFFAOYSA-N
XLogP1.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
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(2S)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16247900
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CID 898929
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide
CID 3216690
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CID 3216694
2-[(chloroacetyl)(3-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thien-2-ylacetamide
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N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 25161773) is N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C)s2)c1.
What is the InChIKey of N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KVIISIYLLRKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-7-8-15(26-12)18(24)19-10-17(23)21(2)11-16(22)20-13-5-4-6-14(9-13)25-3/h4-9H,10-11H2,1-3H3,(H,19,24)(H,20,22).
What are the key properties of N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 25161773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).