N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide

C28H30N6O3S — CID 25190537

IUPACN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(N3CCCCC3)s1)n2CCC(N)=O
InChIInChI=1S/C28H30N6O3S/c1-32(27(37)19-8-4-2-5-9-19)20-10-11-22-21(18-20)30-28(34(22)17-14-24(29)35)31-26(36)23-12-13-25(38-23)33-15-6-3-7-16-33/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,29,35)(H,30,31,36)
InChIKeyKZNSDERJTMKOHV-UHFFFAOYSA-N
MW530.65 g/mol
LogP4.49
Rot. Bonds8

About N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide

N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide (PubChem CID 25190537) has the molecular formula C28H30N6O3S and a molecular weight of 530.65 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide
PubChem CID25190537
Molecular FormulaC28H30N6O3S
Molecular Weight530.65 g/mol
Exact Mass530.21
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(N3CCCCC3)s1)n2CCC(N)=O
InChIInChI=1S/C28H30N6O3S/c1-32(27(37)19-8-4-2-5-9-19)20-10-11-22-21(18-20)30-28(34(22)17-14-24(29)35)31-26(36)23-12-13-25(38-23)33-15-6-3-7-16-33/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,29,35)(H,30,31,36)
InChIKeyKZNSDERJTMKOHV-UHFFFAOYSA-N
XLogP4.49
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide (CID 25190537) is N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide is CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(N3CCCCC3)s1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide?
The InChIKey is KZNSDERJTMKOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3S/c1-32(27(37)19-8-4-2-5-9-19)20-10-11-22-21(18-20)30-28(34(22)17-14-24(29)35)31-26(36)23-12-13-25(38-23)33-15-6-3-7-16-33/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,29,35)(H,30,31,36).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 25190537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).