N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide

C22H25N5O3S — CID 58742868

IUPACN-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCN(C(=O)C1CCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O
InChIInChI=1S/C22H25N5O3S/c1-26(21(30)14-5-2-3-6-14)15-8-9-17-16(13-15)24-22(27(17)11-10-19(23)28)25-20(29)18-7-4-12-31-18/h4,7-9,12-14H,2-3,5-6,10-11H2,1H3,(H2,23,28)(H,24,25,29)
InChIKeyYRSYEYNVFROYTM-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.38
Rot. Bonds7

About N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide

N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 58742868) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID58742868
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCN(C(=O)C1CCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O
InChIInChI=1S/C22H25N5O3S/c1-26(21(30)14-5-2-3-6-14)15-8-9-17-16(13-15)24-22(27(17)11-10-19(23)28)25-20(29)18-7-4-12-31-18/h4,7-9,12-14H,2-3,5-6,10-11H2,1H3,(H2,23,28)(H,24,25,29)
InChIKeyYRSYEYNVFROYTM-UHFFFAOYSA-N
XLogP3.38
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-4-carboxamide
CID 44588740
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide
CID 44588794
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 44588719
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid
CID 159567057
3-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(methylamino)-3-oxopropyl]benzimidazol-2-yl]benzamide
CID 58742518
6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid
CID 10117609
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-[(E)-2-phenylethenyl]thiophene-2-carboxamide
CID 25190548
N-[1-(3-amino-3-oxopropyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]cyclopentene-1-carboxamide
CID 58742723
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide
CID 91611996
N-[1-(3-amino-3-oxopropyl)-6-[cyclohexanecarbonyl(methyl)amino]indol-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90035604
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-piperazin-1-ylthiophene-2-carboxamide
CID 25190538

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide (CID 58742868) is N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide is CN(C(=O)C1CCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is YRSYEYNVFROYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-26(21(30)14-5-2-3-6-14)15-8-9-17-16(13-15)24-22(27(17)11-10-19(23)28)25-20(29)18-7-4-12-31-18/h4,7-9,12-14H,2-3,5-6,10-11H2,1H3,(H2,23,28)(H,24,25,29).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide?
N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58742868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).