[4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate

C19H20N4O4S — CID 142253948

IUPAC[4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate
SMILESCn1cnc(S(=O)(=O)NCCc2ccc(OC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C19H20N4O4S/c1-23-13-18(20-14-23)28(25,26)21-12-11-15-7-9-17(10-8-15)27-19(24)22-16-5-3-2-4-6-16/h2-10,13-14,21H,11-12H2,1H3,(H,22,24)
InChIKeyXLZGBOPEKNMNOO-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.55
Rot. Bonds7

About [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate

[4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate (PubChem CID 142253948) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate
PubChem CID142253948
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name[4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate
SMILESCn1cnc(S(=O)(=O)NCCc2ccc(OC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C19H20N4O4S/c1-23-13-18(20-14-23)28(25,26)21-12-11-15-7-9-17(10-8-15)27-19(24)22-16-5-3-2-4-6-16/h2-10,13-14,21H,11-12H2,1H3,(H,22,24)
InChIKeyXLZGBOPEKNMNOO-UHFFFAOYSA-N
XLogP2.55
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 46345208
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
N-(3-amino-3-phenylpropyl)-1-methylimidazole-4-sulfonamide
CID 80506785
N-[2-[3-benzyl-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-methylimidazole-4-sulfonamide
CID 56656167
methyl 6-[(1-methylimidazol-4-yl)sulfonylamino]hexanoate
CID 62374971
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
phenyl N-(4-pentylphenyl)carbamate
CID 60630597
N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 20958647
(2S)-2-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717794
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
N-[2-(2-chloroethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 65033847

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate?
The IUPAC name of [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate (CID 142253948) is [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate.
What is the SMILES notation for [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate?
The canonical SMILES for [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate is Cn1cnc(S(=O)(=O)NCCc2ccc(OC(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate?
The InChIKey is XLZGBOPEKNMNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-23-13-18(20-14-23)28(25,26)21-12-11-15-7-9-17(10-8-15)27-19(24)22-16-5-3-2-4-6-16/h2-10,13-14,21H,11-12H2,1H3,(H,22,24).
What are the key properties of [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate?
[4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate has a molecular weight of 400.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate is sourced from PubChem (CID 142253948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).