N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide

C15H17ClN4O2S — CID 17405064

IUPACN-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide
SMILESCC(C)C(Sc1nccn1-c1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C15H17ClN4O2S/c1-9(2)12(13(21)19-14(17)22)23-15-18-7-8-20(15)11-5-3-10(16)4-6-11/h3-9,12H,1-2H3,(H3,17,19,21,22)
InChIKeyFJRVKTAEFLQQHJ-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.84
Rot. Bonds5

About N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide

N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide (PubChem CID 17405064) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide
PubChem CID17405064
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC NameN-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide
SMILESCC(C)C(Sc1nccn1-c1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C15H17ClN4O2S/c1-9(2)12(13(21)19-14(17)22)23-15-18-7-8-20(15)11-5-3-10(16)4-6-11/h3-9,12H,1-2H3,(H3,17,19,21,22)
InChIKeyFJRVKTAEFLQQHJ-UHFFFAOYSA-N
XLogP2.84
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 7170030
N-carbamoyl-2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide
CID 42980480
N-carbamoyl-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 42978169
(2R)-N-carbamoyl-2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 25386754
(2R)-N-carbamoyl-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-methylbutanamide
CID 7940551
(2R)-2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7915698
(2S)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7183732
(2S)-N-carbamoyl-3-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 9407764
(2R)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888908
(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888906
(2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 41424818
(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 8580236

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide?
The IUPAC name of N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide (CID 17405064) is N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide.
What is the SMILES notation for N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide?
The canonical SMILES for N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide is CC(C)C(Sc1nccn1-c1ccc(Cl)cc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide?
The InChIKey is FJRVKTAEFLQQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-9(2)12(13(21)19-14(17)22)23-15-18-7-8-20(15)11-5-3-10(16)4-6-11/h3-9,12H,1-2H3,(H3,17,19,21,22).
What are the key properties of N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide?
N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide has a molecular weight of 352.85 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide is sourced from PubChem (CID 17405064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).