3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide

C15H16ClF2N3OS — CID 51134602

IUPAC3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCCc1nccn1C(F)F
InChIInChI=1S/C15H16ClF2N3OS/c16-11-1-3-12(4-2-11)23-10-6-14(22)20-7-5-13-19-8-9-21(13)15(17)18/h1-4,8-9,15H,5-7,10H2,(H,20,22)
InChIKeyMTYLGVKCBUZCBT-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.77
Rot. Bonds8

About 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide (PubChem CID 51134602) has the molecular formula C15H16ClF2N3OS and a molecular weight of 359.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide
PubChem CID51134602
Molecular FormulaC15H16ClF2N3OS
Molecular Weight359.83 g/mol
Exact Mass359.07
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCCc1nccn1C(F)F
InChIInChI=1S/C15H16ClF2N3OS/c16-11-1-3-12(4-2-11)23-10-6-14(22)20-7-5-13-19-8-9-21(13)15(17)18/h1-4,8-9,15H,5-7,10H2,(H,20,22)
InChIKeyMTYLGVKCBUZCBT-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide
CID 166428060
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
1-[2-(4-chlorophenyl)ethyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111197037
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
methyl 4-[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]ethyl]benzoate
CID 46530131
3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 51072652
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
cis-(1S,2R)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97213304
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenyl]acetic acid
CID 64928160
3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914732

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide (CID 51134602) is 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide is O=C(CCSc1ccc(Cl)cc1)NCCc1nccn1C(F)F.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide?
The InChIKey is MTYLGVKCBUZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3OS/c16-11-1-3-12(4-2-11)23-10-6-14(22)20-7-5-13-19-8-9-21(13)15(17)18/h1-4,8-9,15H,5-7,10H2,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide has a molecular weight of 359.83 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 51134602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).