N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide

C24H25N3O2S — CID 23820529

IUPACN-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESNCc1cccc(CN(Cc2ccccc2NC(=O)c2cccs2)C(=O)C2CC2)c1
InChIInChI=1S/C24H25N3O2S/c25-14-17-5-3-6-18(13-17)15-27(24(29)19-10-11-19)16-20-7-1-2-8-21(20)26-23(28)22-9-4-12-30-22/h1-9,12-13,19H,10-11,14-16,25H2,(H,26,28)
InChIKeyQWSZYBUTVRBKAH-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.40
Rot. Bonds8

About N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide

N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 23820529) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
PubChem CID23820529
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESNCc1cccc(CN(Cc2ccccc2NC(=O)c2cccs2)C(=O)C2CC2)c1
InChIInChI=1S/C24H25N3O2S/c25-14-17-5-3-6-18(13-17)15-27(24(29)19-10-11-19)16-20-7-1-2-8-21(20)26-23(28)22-9-4-12-30-22/h1-9,12-13,19H,10-11,14-16,25H2,(H,26,28)
InChIKeyQWSZYBUTVRBKAH-UHFFFAOYSA-N
XLogP4.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 23880381
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23962180
N-[4-[[[3-(aminomethyl)phenyl]methyl-(2-phenoxyacetyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23878742
3-[cyclopropanecarbonyl-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(thiophene-2-carbonylamino)phenyl]phenyl]methyl]amino]propanoic acid
CID 23993732
N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24653539
N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 23762640
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23854086
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009
N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23734806

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide (CID 23820529) is N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide is NCc1cccc(CN(Cc2ccccc2NC(=O)c2cccs2)C(=O)C2CC2)c1.
What is the InChIKey of N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is QWSZYBUTVRBKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c25-14-17-5-3-6-18(13-17)15-27(24(29)19-10-11-19)16-20-7-1-2-8-21(20)26-23(28)22-9-4-12-30-22/h1-9,12-13,19H,10-11,14-16,25H2,(H,26,28).
What are the key properties of N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide?
N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23820529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).