N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide

C15H18ClN3OS — CID 60607516

IUPACN-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(Cl)ccc1Sc1nccn1C
InChIInChI=1S/C15H18ClN3OS/c1-3-4-5-14(20)18-12-10-11(16)6-7-13(12)21-15-17-8-9-19(15)2/h6-10H,3-5H2,1-2H3,(H,18,20)
InChIKeyLWLPPRWTDWIZDX-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.35
Rot. Bonds6

About N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide

N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide (PubChem CID 60607516) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide
PubChem CID60607516
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(Cl)ccc1Sc1nccn1C
InChIInChI=1S/C15H18ClN3OS/c1-3-4-5-14(20)18-12-10-11(16)6-7-13(12)21-15-17-8-9-19(15)2/h6-10H,3-5H2,1-2H3,(H,18,20)
InChIKeyLWLPPRWTDWIZDX-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide?
The IUPAC name of N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide (CID 60607516) is N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide?
The canonical SMILES for N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide is CCCCC(=O)Nc1cc(Cl)ccc1Sc1nccn1C.
What is the InChIKey of N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide?
The InChIKey is LWLPPRWTDWIZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-3-4-5-14(20)18-12-10-11(16)6-7-13(12)21-15-17-8-9-19(15)2/h6-10H,3-5H2,1-2H3,(H,18,20).
What are the key properties of N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide?
N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide has a molecular weight of 323.85 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pentanamide is sourced from PubChem (CID 60607516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).