N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C17H19N3O4S — CID 9270265

IUPACN-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C17H19N3O4S/c1-24-13-6-3-2-5-12(13)9-18-15(21)10-19-16(22)11-20-17(23)14-7-4-8-25-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyAEBJAXLNJGPRPB-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.92
Rot. Bonds8

About N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9270265) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9270265
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C17H19N3O4S/c1-24-13-6-3-2-5-12(13)9-18-15(21)10-19-16(22)11-20-17(23)14-7-4-8-25-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyAEBJAXLNJGPRPB-UHFFFAOYSA-N
XLogP0.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288
naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158543
N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 24637880
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 9270265) is N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is COc1ccccc1CNC(=O)CNC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is AEBJAXLNJGPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-13-6-3-2-5-12(13)9-18-15(21)10-19-16(22)11-20-17(23)14-7-4-8-25-14/h2-8H,9-11H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9270265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).