3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide

C18H26N2O3S — CID 52516223

IUPAC3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESC[C@H](NC(=O)CC(C1CC1)C1CC1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H26N2O3S/c1-12(15-4-3-5-16(10-15)20-24(2,22)23)19-18(21)11-17(13-6-7-13)14-8-9-14/h3-5,10,12-14,17,20H,6-9,11H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyLFUPTJGBJULEFE-LBPRGKRZSA-N
MW350.48 g/mol
LogP3.06
Rot. Bonds8

About 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide

3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide (PubChem CID 52516223) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
PubChem CID52516223
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESC[C@H](NC(=O)CC(C1CC1)C1CC1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H26N2O3S/c1-12(15-4-3-5-16(10-15)20-24(2,22)23)19-18(21)11-17(13-6-7-13)14-8-9-14/h3-5,10,12-14,17,20H,6-9,11H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyLFUPTJGBJULEFE-LBPRGKRZSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770
(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
CID 138027732
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124824450
(1S,2S,4S)-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750484
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea
CID 86876840
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51942411
(2S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2-methylhexanamide
CID 100733908

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The IUPAC name of 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide (CID 52516223) is 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide is C[C@H](NC(=O)CC(C1CC1)C1CC1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The InChIKey is LFUPTJGBJULEFE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-12(15-4-3-5-16(10-15)20-24(2,22)23)19-18(21)11-17(13-6-7-13)14-8-9-14/h3-5,10,12-14,17,20H,6-9,11H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide has a molecular weight of 350.48 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide is sourced from PubChem (CID 52516223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).