[2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate

C15H24N2O4S — CID 54207985

IUPAC[2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate
SMILESCC(C)NS(=O)(=O)OCC(=O)N(c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-12(2)16-22(19,20)21-11-14(18)17(15(3,4)5)13-9-7-6-8-10-13/h6-10,12,16H,11H2,1-5H3
InChIKeyPTWYVENVZWLFHL-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.08
Rot. Bonds6

About [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate

[2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate (PubChem CID 54207985) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate.

Molecular Properties

Compound Name[2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate
PubChem CID54207985
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name[2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate
SMILESCC(C)NS(=O)(=O)OCC(=O)N(c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-12(2)16-22(19,20)21-11-14(18)17(15(3,4)5)13-9-7-6-8-10-13/h6-10,12,16H,11H2,1-5H3
InChIKeyPTWYVENVZWLFHL-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylsulfamoyloxy)acetic acid
CID 19834552
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate
CID 141001456
1-tert-butyl-1-phenylurea
CID 19102233
N'-tert-butyl-N,N'-diphenyloxamide
CID 141062085
methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62006228
2-cyclohexyloxy-N-phenyl-N-propan-2-ylacetamide
CID 86776862
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
[3-(1-aminoethyl)phenyl]-tert-butylcarbamic acid
CID 66763803
N-tert-butyl-2-(N-methylsulfonylanilino)acetamide
CID 51343017

Frequently Asked Questions

What is the IUPAC name of [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate?
The IUPAC name of [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate (CID 54207985) is [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate.
What is the SMILES notation for [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate?
The canonical SMILES for [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate is CC(C)NS(=O)(=O)OCC(=O)N(c1ccccc1)C(C)(C)C.
What is the InChIKey of [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate?
The InChIKey is PTWYVENVZWLFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(2)16-22(19,20)21-11-14(18)17(15(3,4)5)13-9-7-6-8-10-13/h6-10,12,16H,11H2,1-5H3.
What are the key properties of [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate?
[2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate has a molecular weight of 328.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-tert-butylanilino)-2-oxoethyl] N-propan-2-ylsulfamate is sourced from PubChem (CID 54207985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).