(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate

C20H18N2O5S — CID 127037917

IUPAC(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate
SMILESCOc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O5S/c1-26-17-12-14-18(15-13-17)27-20(23)22(21-16-8-4-2-5-9-16)28(24,25)19-10-6-3-7-11-19/h2-15,21H,1H3
InChIKeyAXJQSYVVJBVNAY-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.91
Rot. Bonds6

About (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate

(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate (PubChem CID 127037917) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate
PubChem CID127037917
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate
SMILESCOc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O5S/c1-26-17-12-14-18(15-13-17)27-20(23)22(21-16-8-4-2-5-9-16)28(24,25)19-10-6-3-7-11-19/h2-15,21H,1H3
InChIKeyAXJQSYVVJBVNAY-UHFFFAOYSA-N
XLogP3.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl) N-anilino-N-(4-methoxyphenyl)sulfonylcarbamate
CID 127041850
1-anilino-3-(N-(4-methoxyphenyl)sulfonylanilino)urea
CID 3505064
(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate
CID 10711199
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
phenyl N-[N-(benzenesulfonyl)anilino]carbamate
CID 122517077
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4-methoxy-2-nitrophenyl)-N'-(4-methoxyphenyl)benzenesulfonohydrazide
CID 175215120
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide
CID 132558243
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
anisole;molecular nitrogen;sulfuric acid
CID 174681459

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate?
The IUPAC name of (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate (CID 127037917) is (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate?
The canonical SMILES for (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate is COc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate?
The InChIKey is AXJQSYVVJBVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-26-17-12-14-18(15-13-17)27-20(23)22(21-16-8-4-2-5-9-16)28(24,25)19-10-6-3-7-11-19/h2-15,21H,1H3.
What are the key properties of (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate?
(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate has a molecular weight of 398.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate is sourced from PubChem (CID 127037917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).