tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate

C19H23NO5S — CID 70074555

IUPACtert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate
SMILESCOc1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO5S/c1-14-7-6-8-15(13-14)20(18(21)25-19(2,3)4)26(22,23)17-11-9-16(24-5)10-12-17/h6-13H,1-5H3
InChIKeyRAHBBYNQFIJBJT-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate

tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate (PubChem CID 70074555) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate
PubChem CID70074555
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Nametert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate
SMILESCOc1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO5S/c1-14-7-6-8-15(13-14)20(18(21)25-19(2,3)4)26(22,23)17-11-9-16(24-5)10-12-17/h6-13H,1-5H3
InChIKeyRAHBBYNQFIJBJT-UHFFFAOYSA-N
XLogP4.13
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbenzoic acid
CID 21310885
tert-butyl N-(3-bromophenyl)sulfonyl-N-(4-methylphenyl)carbamate
CID 67189391
N-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 872481
methyl 2-[(4-methoxyphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(pyrrolidin-1-ylmethyl)benzoate
CID 70052534
(2R)-N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 125056226
N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219311
tert-butyl N-(benzenesulfonyl)-N-[3-[(E)-5-iodopent-1-enyl]phenyl]carbamate
CID 156812612
(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-(4-methoxyphenyl)sulfonyl-2-methyl-N-phenyl-9H-fluorene-9-carboxamide
CID 102366727
N-tert-butyl-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132746048
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate (CID 70074555) is tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate is COc1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2cccc(C)c2)cc1.
What is the InChIKey of tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate?
The InChIKey is RAHBBYNQFIJBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-14-7-6-8-15(13-14)20(18(21)25-19(2,3)4)26(22,23)17-11-9-16(24-5)10-12-17/h6-13H,1-5H3.
What are the key properties of tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate?
tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate has a molecular weight of 377.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate is sourced from PubChem (CID 70074555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).