2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide

C16H22N2O2S — CID 124854776

IUPAC2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide
SMILESC[C@H](Sc1ccccc1C(=O)NCCC1(C)CC1)C(N)=O
InChIInChI=1S/C16H22N2O2S/c1-11(14(17)19)21-13-6-4-3-5-12(13)15(20)18-10-9-16(2)7-8-16/h3-6,11H,7-10H2,1-2H3,(H2,17,19)(H,18,20)/t11-/m0/s1
InChIKeyXVKOSUXOLVDFDL-NSHDSACASA-N
MW306.43 g/mol
LogP2.57
Rot. Bonds7

About 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide

2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide (PubChem CID 124854776) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide
PubChem CID124854776
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide
SMILESC[C@H](Sc1ccccc1C(=O)NCCC1(C)CC1)C(N)=O
InChIInChI=1S/C16H22N2O2S/c1-11(14(17)19)21-13-6-4-3-5-12(13)15(20)18-10-9-16(2)7-8-16/h3-6,11H,7-10H2,1-2H3,(H2,17,19)(H,18,20)/t11-/m0/s1
InChIKeyXVKOSUXOLVDFDL-NSHDSACASA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-1-oxopropan-2-yl)sulfanyl-N-(3-phenylprop-2-enyl)benzamide
CID 127265899
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
CID 119498074
2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide
CID 124730047
2-[2-[2-(methanesulfonamido)ethylcarbamoyl]phenyl]sulfanylpropanoic acid
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methyl 2-[2-(3-phenoxypropylcarbamoyl)phenyl]sulfanylpropanoate
CID 55870912
methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate
CID 55883515
methyl 2-[2-(prop-2-ynylcarbamoyl)phenyl]sulfanylpropanoate
CID 60528568
2-[2-(4-hydroxyhexylcarbamoyl)phenyl]sulfanylpropanoic acid
CID 119186509
methyl 2-[2-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]sulfanylpropanoate
CID 55871591
2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-(4-ethyl-3-fluorophenyl)benzamide
CID 100743961
methyl 2-[2-[(4-carbamoylphenyl)methylcarbamoyl]phenyl]sulfanylpropanoate
CID 51121031
N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119382897

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide?
The IUPAC name of 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide (CID 124854776) is 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide.
What is the SMILES notation for 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide?
The canonical SMILES for 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide is C[C@H](Sc1ccccc1C(=O)NCCC1(C)CC1)C(N)=O.
What is the InChIKey of 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide?
The InChIKey is XVKOSUXOLVDFDL-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(14(17)19)21-13-6-4-3-5-12(13)15(20)18-10-9-16(2)7-8-16/h3-6,11H,7-10H2,1-2H3,(H2,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide?
2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide has a molecular weight of 306.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide is sourced from PubChem (CID 124854776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).