tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate

C18H30N2O4S — CID 110315317

IUPACtert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O4S/c1-13(2)15-8-10-16(11-9-15)25(22,23)20(7)12-14(3)19-17(21)24-18(4,5)6/h8-11,13-14H,12H2,1-7H3,(H,19,21)/t14-/m0/s1
InChIKeyHZCIACUDTLKQHY-AWEZNQCLSA-N
MW370.52 g/mol
LogP3.34
Rot. Bonds6

About tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate (PubChem CID 110315317) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate
PubChem CID110315317
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Nametert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O4S/c1-13(2)15-8-10-16(11-9-15)25(22,23)20(7)12-14(3)19-17(21)24-18(4,5)6/h8-11,13-14H,12H2,1-7H3,(H,19,21)/t14-/m0/s1
InChIKeyHZCIACUDTLKQHY-AWEZNQCLSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-[benzenesulfonyl(methyl)amino]propan-2-yl]carbamate
CID 110315307
tert-butyl N-[(2S)-1-[methyl-[(4-methylphenyl)methylsulfonyl]amino]propan-2-yl]carbamate
CID 110315342
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-propan-2-ylphenyl)propanoate
CID 7062319
tert-butyl N-[1-[[3-(dimethylsulfamoyl)benzoyl]-methylamino]propan-2-yl]carbamate
CID 110633583
tert-butyl N-[(2S)-1-[(4-tert-butylbenzoyl)-methylamino]propan-2-yl]carbamate
CID 110315248
(3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-propan-2-ylphenyl)propanoic acid
CID 125457634
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-3-oxopropyl]carbamate
CID 9223924
tert-butyl N-[(1R,2R)-1-(4-chlorophenyl)-2-nitropropyl]carbamate
CID 46201420
N-(2-hydroxypropyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62337347
tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
CID 69244104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate (CID 110315317) is tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate is CC(C)c1ccc(S(=O)(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate?
The InChIKey is HZCIACUDTLKQHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-13(2)15-8-10-16(11-9-15)25(22,23)20(7)12-14(3)19-17(21)24-18(4,5)6/h8-11,13-14H,12H2,1-7H3,(H,19,21)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate has a molecular weight of 370.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]carbamate is sourced from PubChem (CID 110315317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).