N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

C24H24N4O3S — CID 175265911

IUPACN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3CN)s2)cc1
InChIInChI=1S/C24H24N4O3S/c1-26-22(29)15-4-2-14(3-5-15)20-10-11-21(32-20)24(31)28-19-12-16(6-7-17(19)13-25)23(30)27-18-8-9-18/h2-7,10-12,18H,8-9,13,25H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyPAXJNJUUGFIKQU-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 175265911) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID175265911
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3CN)s2)cc1
InChIInChI=1S/C24H24N4O3S/c1-26-22(29)15-4-2-14(3-5-15)20-10-11-21(32-20)24(31)28-19-12-16(6-7-17(19)13-25)23(30)27-18-8-9-18/h2-7,10-12,18H,8-9,13,25H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyPAXJNJUUGFIKQU-UHFFFAOYSA-N
XLogP3.38
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-isocyanophenyl)thiophene-2-carboxamide
CID 59761442
5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 59761393
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide
CID 174591618
tert-butyl 4-[4-[5-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]benzoyl]piperazine-1-carboxylate
CID 59761404
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 174606369
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide
CID 126425253
5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18132739
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 46565714
4-(aminomethyl)-N-cyclopropyl-3-[(2-methyl-1-propylpyrrol-3-yl)amino]benzamide
CID 151756984

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 175265911) is N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide is CNC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3CN)s2)cc1.
What is the InChIKey of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is PAXJNJUUGFIKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-26-22(29)15-4-2-14(3-5-15)20-10-11-21(32-20)24(31)28-19-12-16(6-7-17(19)13-25)23(30)27-18-8-9-18/h2-7,10-12,18H,8-9,13,25H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 175265911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).