1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide

C17H25N3O3S — CID 97252609

IUPAC1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)nc1C
InChIInChI=1S/C17H25N3O3S/c1-4-20-12-17(19-14(20)3)24(22,23)18-11-16(10-13(2)21)15-8-6-5-7-9-15/h5-9,12-13,16,18,21H,4,10-11H2,1-3H3/t13-,16+/m0/s1
InChIKeyWVZLQPFJYQGHRG-XJKSGUPXSA-N
MW351.47 g/mol
LogP2.04
Rot. Bonds8

About 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide

1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide (PubChem CID 97252609) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide
PubChem CID97252609
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)nc1C
InChIInChI=1S/C17H25N3O3S/c1-4-20-12-17(19-14(20)3)24(22,23)18-11-16(10-13(2)21)15-8-6-5-7-9-15/h5-9,12-13,16,18,21H,4,10-11H2,1-3H3/t13-,16+/m0/s1
InChIKeyWVZLQPFJYQGHRG-XJKSGUPXSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide (CID 97252609) is 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)nc1C.
What is the InChIKey of 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is WVZLQPFJYQGHRG-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-20-12-17(19-14(20)3)24(22,23)18-11-16(10-13(2)21)15-8-6-5-7-9-15/h5-9,12-13,16,18,21H,4,10-11H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 97252609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).