[4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate

C24H17NO7S2 — CID 2376152

IUPAC[4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccc(N(C(=O)Oc2ccccc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C24H17NO7S2/c26-23(30-19-8-3-1-4-9-19)25(34(28,29)22-12-7-17-33-22)18-13-15-21(16-14-18)32-24(27)31-20-10-5-2-6-11-20/h1-17H
InChIKeyUTRFCFLFLPVNFO-UHFFFAOYSA-N
MW495.53 g/mol
LogP5.72
Rot. Bonds6

About [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate

[4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate (PubChem CID 2376152) has the molecular formula C24H17NO7S2 and a molecular weight of 495.53 g/mol. Its IUPAC name is [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate.

Molecular Properties

Compound Name[4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate
PubChem CID2376152
Molecular FormulaC24H17NO7S2
Molecular Weight495.53 g/mol
Exact Mass495.04
IUPAC Name[4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccc(N(C(=O)Oc2ccccc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C24H17NO7S2/c26-23(30-19-8-3-1-4-9-19)25(34(28,29)22-12-7-17-33-22)18-13-15-21(16-14-18)32-24(27)31-20-10-5-2-6-11-20/h1-17H
InChIKeyUTRFCFLFLPVNFO-UHFFFAOYSA-N
XLogP5.72
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.53
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate
CID 754067
4-methoxy-N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylbenzamide
CID 993467
N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide
CID 993466
2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
CID 60828163
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
[4-[acetyl(thiophen-2-ylsulfonyl)amino]naphthalen-1-yl] acetate
CID 1309520
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
N-methyl-N-[(2-methylphenyl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31237396
2-(4-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 47004366
[4-(benzylsulfanylmethyl)phenyl] phenyl carbonate
CID 67797806

Frequently Asked Questions

What is the IUPAC name of [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate?
The IUPAC name of [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate (CID 2376152) is [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate.
What is the SMILES notation for [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate?
The canonical SMILES for [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate is O=C(Oc1ccccc1)Oc1ccc(N(C(=O)Oc2ccccc2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate?
The InChIKey is UTRFCFLFLPVNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO7S2/c26-23(30-19-8-3-1-4-9-19)25(34(28,29)22-12-7-17-33-22)18-13-15-21(16-14-18)32-24(27)31-20-10-5-2-6-11-20/h1-17H.
What are the key properties of [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate?
[4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate has a molecular weight of 495.53 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[phenoxycarbonyl(thiophen-2-ylsulfonyl)amino]phenyl] phenyl carbonate is sourced from PubChem (CID 2376152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).