N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide

C34H29N5O3S — CID 90819537

IUPACN-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCO[C@H](Cn1c(NC(=O)c2ccc(-c3ccncc3)s2)nc2cc(NCC(=O)c3ccccc3)ccc21)c1ccccc1
InChIInChI=1S/C34H29N5O3S/c1-42-30(24-10-6-3-7-11-24)22-39-28-13-12-26(36-21-29(40)23-8-4-2-5-9-23)20-27(28)37-34(39)38-33(41)32-15-14-31(43-32)25-16-18-35-19-17-25/h2-20,30,36H,21-22H2,1H3,(H,37,38,41)/t30-/m1/s1
InChIKeyLLGAHLLRKQLVAP-SSEXGKCCSA-N
MW587.71 g/mol
LogP7.09
Rot. Bonds11

About N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 90819537) has the molecular formula C34H29N5O3S and a molecular weight of 587.71 g/mol. Its IUPAC name is N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID90819537
Molecular FormulaC34H29N5O3S
Molecular Weight587.71 g/mol
Exact Mass587.20
IUPAC NameN-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCO[C@H](Cn1c(NC(=O)c2ccc(-c3ccncc3)s2)nc2cc(NCC(=O)c3ccccc3)ccc21)c1ccccc1
InChIInChI=1S/C34H29N5O3S/c1-42-30(24-10-6-3-7-11-24)22-39-28-13-12-26(36-21-29(40)23-8-4-2-5-9-23)20-27(28)37-34(39)38-33(41)32-15-14-31(43-32)25-16-18-35-19-17-25/h2-20,30,36H,21-22H2,1H3,(H,37,38,41)/t30-/m1/s1
InChIKeyLLGAHLLRKQLVAP-SSEXGKCCSA-N
XLogP7.09
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.71
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-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

Related Compounds

N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 91174971
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(3-methylphenyl)thiophene-2-carboxamide
CID 91131728
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(6-fluoro-3-pyridinyl)thiophene-2-carboxamide
CID 90731498
N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 91201943
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 91280683
5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide
CID 91156914
2-(2-fluoro-4-pyridinyl)-N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 91534865
N-[1-[2-(methylsulfonylmethylamino)ethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 91084715
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide
CID 91611996
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 91512119
N-[1-(3-amino-3-oxopropyl)-5-[[hydroxy(phenyl)methyl]-methylamino]benzimidazol-2-yl]-5-(2-amino-4-pyridinyl)thiophene-2-carboxamide
CID 143094393
N-[1-(3-amino-3-oxopropyl)-5-[[hydroxy(phenyl)methyl]-methylamino]benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 144846098

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 90819537) is N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide is CO[C@H](Cn1c(NC(=O)c2ccc(-c3ccncc3)s2)nc2cc(NCC(=O)c3ccccc3)ccc21)c1ccccc1.
What is the InChIKey of N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is LLGAHLLRKQLVAP-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H29N5O3S/c1-42-30(24-10-6-3-7-11-24)22-39-28-13-12-26(36-21-29(40)23-8-4-2-5-9-23)20-27(28)37-34(39)38-33(41)32-15-14-31(43-32)25-16-18-35-19-17-25/h2-20,30,36H,21-22H2,1H3,(H,37,38,41)/t30-/m1/s1.
What are the key properties of N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 587.71 g/mol, XLogP of 7.09, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 90819537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).