N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide

C16H24N2O2S — CID 42900284

IUPACN-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide
SMILESCc1cc(C)c(C)c(SC(C(=O)NC(N)=O)C(C)C)c1C
InChIInChI=1S/C16H24N2O2S/c1-8(2)13(15(19)18-16(17)20)21-14-11(5)9(3)7-10(4)12(14)6/h7-8,13H,1-6H3,(H3,17,18,19,20)
InChIKeyUMUWXUHFGOSYCN-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.23
Rot. Bonds4

About N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide

N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide (PubChem CID 42900284) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide
PubChem CID42900284
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide
SMILESCc1cc(C)c(C)c(SC(C(=O)NC(N)=O)C(C)C)c1C
InChIInChI=1S/C16H24N2O2S/c1-8(2)13(15(19)18-16(17)20)21-14-11(5)9(3)7-10(4)12(14)6/h7-8,13H,1-6H3,(H3,17,18,19,20)
InChIKeyUMUWXUHFGOSYCN-UHFFFAOYSA-N
XLogP3.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-carbamoyl-2-(2,6-dichlorophenyl)sulfanyl-3-methylbutanamide
CID 7847857
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
CID 47115223
N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 4876152
(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 41328404
2-(2-bromophenyl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 24527832
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 29378697
(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide
CID 7144979
N-carbamoyl-3-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 51140589
(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 27046259
(2S)-N-carbamoyl-3-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 9407764
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
(2R)-2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7915698

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide?
The IUPAC name of N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide (CID 42900284) is N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide.
What is the SMILES notation for N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide?
The canonical SMILES for N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide is Cc1cc(C)c(C)c(SC(C(=O)NC(N)=O)C(C)C)c1C.
What is the InChIKey of N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide?
The InChIKey is UMUWXUHFGOSYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-8(2)13(15(19)18-16(17)20)21-14-11(5)9(3)7-10(4)12(14)6/h7-8,13H,1-6H3,(H3,17,18,19,20).
What are the key properties of N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide?
N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide has a molecular weight of 308.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide is sourced from PubChem (CID 42900284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).