N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide

C19H22N4O3S — CID 146024065

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCCc2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C19H22N4O3S/c1-13-7-8-15(11-14(13)2)27(25,26)21-12-19(24)20-10-9-18-22-16-5-3-4-6-17(16)23-18/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyCECBDWVHQFOPSJ-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.82
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 146024065) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
PubChem CID146024065
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCCc2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C19H22N4O3S/c1-13-7-8-15(11-14(13)2)27(25,26)21-12-19(24)20-10-9-18-22-16-5-3-4-6-17(16)23-18/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyCECBDWVHQFOPSJ-UHFFFAOYSA-N
XLogP1.82
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 112791038
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
CID 61456840
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110711936
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
CID 30359896
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571279
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide (CID 146024065) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCCc2nc3ccccc3[nH]2)cc1C.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is CECBDWVHQFOPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-7-8-15(11-14(13)2)27(25,26)21-12-19(24)20-10-9-18-22-16-5-3-4-6-17(16)23-18/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 386.48 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 146024065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).