N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide

C26H37N5O3S — CID 46602893

IUPACN-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)C(CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)Cc1ccccc1
InChIInChI=1S/C26H37N5O3S/c1-6-31(7-2)21(17-20-11-9-8-10-12-20)19-27-26(32)16-15-25-28-23-18-22(35(33,34)29(3)4)13-14-24(23)30(25)5/h8-14,18,21H,6-7,15-17,19H2,1-5H3,(H,27,32)
InChIKeyURNSEAVJNKSVEC-UHFFFAOYSA-N
MW499.68 g/mol
LogP2.83
Rot. Bonds12

About N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide

N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide (PubChem CID 46602893) has the molecular formula C26H37N5O3S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
PubChem CID46602893
Molecular FormulaC26H37N5O3S
Molecular Weight499.68 g/mol
Exact Mass499.26
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)C(CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)Cc1ccccc1
InChIInChI=1S/C26H37N5O3S/c1-6-31(7-2)21(17-20-11-9-8-10-12-20)19-27-26(32)16-15-25-28-23-18-22(35(33,34)29(3)4)13-14-24(23)30(25)5/h8-14,18,21H,6-7,15-17,19H2,1-5H3,(H,27,32)
InChIKeyURNSEAVJNKSVEC-UHFFFAOYSA-N
XLogP2.83
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 26202172
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-pyrrolidin-1-ylbutyl)propanamide
CID 43064901
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentan-2-ylpropanamide
CID 17479981
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25334806
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 45353825
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-ethylphenyl)propanamide
CID 24635105
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
CID 55309258
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4876131
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide (CID 46602893) is N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide is CCN(CC)C(CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The InChIKey is URNSEAVJNKSVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3S/c1-6-31(7-2)21(17-20-11-9-8-10-12-20)19-27-26(32)16-15-25-28-23-18-22(35(33,34)29(3)4)13-14-24(23)30(25)5/h8-14,18,21H,6-7,15-17,19H2,1-5H3,(H,27,32).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide has a molecular weight of 499.68 g/mol, XLogP of 2.83, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 46602893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).