ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate

C12H17NO4S — CID 110778736

IUPACethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H17NO4S/c1-4-17-12(14)13-10-5-7-11(8-6-10)18(15,16)9(2)3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyLAVUOVNPRBIQDJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.44
Rot. Bonds4

About ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate

ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate (PubChem CID 110778736) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
PubChem CID110778736
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H17NO4S/c1-4-17-12(14)13-10-5-7-11(8-6-10)18(15,16)9(2)3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyLAVUOVNPRBIQDJ-UHFFFAOYSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
2-oxo-2-(4-propan-2-ylsulfonylanilino)acetic acid
CID 82502013
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
CID 55755393
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate?
The IUPAC name of ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate (CID 110778736) is ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate?
The canonical SMILES for ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate?
The InChIKey is LAVUOVNPRBIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-17-12(14)13-10-5-7-11(8-6-10)18(15,16)9(2)3/h5-9H,4H2,1-3H3,(H,13,14).
What are the key properties of ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate?
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate has a molecular weight of 271.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate is sourced from PubChem (CID 110778736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).