N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide

C26H22N4O2S2 — CID 142812840

IUPACN-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide
SMILESO=C(CC1=CCC=CS1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1
InChIInChI=1S/C26H22N4O2S2/c31-24(15-20-4-1-2-12-33-20)27-18-8-6-17(7-9-18)26-29-22-11-10-19(14-23(22)30-26)28-25(32)16-21-5-3-13-34-21/h2-14H,1,15-16H2,(H,27,31)(H,28,32)(H,29,30)
InChIKeyUMFYYYQDSIEDTQ-UHFFFAOYSA-N
MW486.62 g/mol
LogP6.34
Rot. Bonds7

About N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide

N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide (PubChem CID 142812840) has the molecular formula C26H22N4O2S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide
PubChem CID142812840
Molecular FormulaC26H22N4O2S2
Molecular Weight486.62 g/mol
Exact Mass486.12
IUPAC NameN-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide
SMILESO=C(CC1=CCC=CS1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1
InChIInChI=1S/C26H22N4O2S2/c31-24(15-20-4-1-2-12-33-20)27-18-8-6-17(7-9-18)26-29-22-11-10-19(14-23(22)30-26)28-25(32)16-21-5-3-13-34-21/h2-14H,1,15-16H2,(H,27,31)(H,28,32)(H,29,30)
InChIKeyUMFYYYQDSIEDTQ-UHFFFAOYSA-N
XLogP6.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
CID 168523092
N-[4-[6-(thiophene-3-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 20695064
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514576
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
CID 60612606
2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 163397662
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
N-(3-ethyl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide
CID 123966768
N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 20694919

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide?
The IUPAC name of N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide (CID 142812840) is N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide.
What is the SMILES notation for N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide?
The canonical SMILES for N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide is O=C(CC1=CCC=CS1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1.
What is the InChIKey of N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide?
The InChIKey is UMFYYYQDSIEDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S2/c31-24(15-20-4-1-2-12-33-20)27-18-8-6-17(7-9-18)26-29-22-11-10-19(14-23(22)30-26)28-25(32)16-21-5-3-13-34-21/h2-14H,1,15-16H2,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide?
N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide has a molecular weight of 486.62 g/mol, XLogP of 6.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-2-(4H-thiopyran-2-yl)acetamide is sourced from PubChem (CID 142812840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).