N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide

C18H24N4O2S — CID 10044082

IUPACN-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide
SMILESCCC(C)CNC(=O)NCc1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C18H24N4O2S/c1-3-12(2)10-20-18(24)21-11-13-8-9-16(25-13)17(23)22-15-7-5-4-6-14(15)19/h4-9,12H,3,10-11,19H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyOXPQCRGFCJNFKY-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.43
Rot. Bonds7

About N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide (PubChem CID 10044082) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide
PubChem CID10044082
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide
SMILESCCC(C)CNC(=O)NCc1ccc(C(=O)Nc2ccccc2N)s1
InChIInChI=1S/C18H24N4O2S/c1-3-12(2)10-20-18(24)21-11-13-8-9-16(25-13)17(23)22-15-7-5-4-6-14(15)19/h4-9,12H,3,10-11,19H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyOXPQCRGFCJNFKY-UHFFFAOYSA-N
XLogP3.43
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide
CID 10341141
2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
CID 10335977
2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide
CID 10340189
N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
CID 143246003
2-[2-[(2-methylbutylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317582
N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 113274434
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
2-N-(2-aminophenyl)-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2,5-dicarboxamide
CID 10339400
5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 54960567
N-(2-aminophenyl)-5-[[(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide
CID 85417464
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
CID 107748924
N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide
CID 11222430

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide (CID 10044082) is N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide is CCC(C)CNC(=O)NCc1ccc(C(=O)Nc2ccccc2N)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide?
The InChIKey is OXPQCRGFCJNFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-12(2)10-20-18(24)21-11-13-8-9-16(25-13)17(23)22-15-7-5-4-6-14(15)19/h4-9,12H,3,10-11,19H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide?
N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 10044082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).