N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide

C30H34N4O4S — CID 4839391

IUPACN-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C30H34N4O4S/c1-2-16-34-28-13-12-25(39(36,37)33-17-19-38-20-18-33)22-27(28)31-29(34)14-15-30(35)32-26-11-7-6-10-24(26)21-23-8-4-3-5-9-23/h3-13,22H,2,14-21H2,1H3,(H,32,35)
InChIKeyFMLXLNNANFBLGS-UHFFFAOYSA-N
MW546.69 g/mol
LogP4.63
Rot. Bonds10

About N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide

N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide (PubChem CID 4839391) has the molecular formula C30H34N4O4S and a molecular weight of 546.69 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
PubChem CID4839391
Molecular FormulaC30H34N4O4S
Molecular Weight546.69 g/mol
Exact Mass546.23
IUPAC NameN-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C30H34N4O4S/c1-2-16-34-28-13-12-25(39(36,37)33-17-19-38-20-18-33)22-27(28)31-29(34)14-15-30(35)32-26-11-7-6-10-24(26)21-23-8-4-3-5-9-23/h3-13,22H,2,14-21H2,1H3,(H,32,35)
InChIKeyFMLXLNNANFBLGS-UHFFFAOYSA-N
XLogP4.63
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.69
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide (CID 4839391) is N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)Nc2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The InChIKey is FMLXLNNANFBLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4S/c1-2-16-34-28-13-12-25(39(36,37)33-17-19-38-20-18-33)22-27(28)31-29(34)14-15-30(35)32-26-11-7-6-10-24(26)21-23-8-4-3-5-9-23/h3-13,22H,2,14-21H2,1H3,(H,32,35).
What are the key properties of N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide has a molecular weight of 546.69 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 4839391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).