2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide

C23H24N4O4S — CID 34943884

IUPAC2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1
InChIInChI=1S/C23H24N4O4S/c24-21(29)19-9-11-32-23(19)26-20(28)14-27(13-18-2-1-10-31-18)12-15-3-5-16(6-4-15)22(30)25-17-7-8-17/h1-6,9-11,17H,7-8,12-14H2,(H2,24,29)(H,25,30)(H,26,28)
InChIKeySHARBDQWNDJPKX-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.97
Rot. Bonds10

About 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 34943884) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
PubChem CID34943884
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1
InChIInChI=1S/C23H24N4O4S/c24-21(29)19-9-11-32-23(19)26-20(28)14-27(13-18-2-1-10-31-18)12-15-3-5-16(6-4-15)22(30)25-17-7-8-17/h1-6,9-11,17H,7-8,12-14H2,(H2,24,29)(H,25,30)(H,26,28)
InChIKeySHARBDQWNDJPKX-UHFFFAOYSA-N
XLogP2.97
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
4-[[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 55557552
N-cyclopropyl-4-[[[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231
N-cyclopropyl-4-[[[2-(2,4-difluoroanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34943334
N-cyclopropyl-4-[[[2-(2-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798223
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34216209
ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
CID 34215828
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
CID 34216561

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide (CID 34943884) is 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1.
What is the InChIKey of 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is SHARBDQWNDJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c24-21(29)19-9-11-32-23(19)26-20(28)14-27(13-18-2-1-10-31-18)12-15-3-5-16(6-4-15)22(30)25-17-7-8-17/h1-6,9-11,17H,7-8,12-14H2,(H2,24,29)(H,25,30)(H,26,28).
What are the key properties of 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 2.97, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 34943884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).