ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate

C17H21N3O5S — CID 25046683

IUPACethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccncc1S(=O)(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C17H21N3O5S/c1-4-24-17(21)19-15-8-9-18-11-16(15)26(22,23)20-13-6-5-7-14(10-13)25-12(2)3/h5-12,20H,4H2,1-3H3,(H,18,19,21)
InChIKeyRFNVMZNQLSTWOU-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.24
Rot. Bonds7

About ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate

ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate (PubChem CID 25046683) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate
PubChem CID25046683
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Nameethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccncc1S(=O)(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C17H21N3O5S/c1-4-24-17(21)19-15-8-9-18-11-16(15)26(22,23)20-13-6-5-7-14(10-13)25-12(2)3/h5-12,20H,4H2,1-3H3,(H,18,19,21)
InChIKeyRFNVMZNQLSTWOU-UHFFFAOYSA-N
XLogP3.24
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 61062462
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[3-(ethoxycarbonylamino)phenyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
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ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
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ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
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2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
[3-(ethoxycarbonylamino)phenyl] 2,5-difluorobenzenesulfonate
CID 39792626
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
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ethyl N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 7908123

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate?
The IUPAC name of ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate (CID 25046683) is ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate is CCOC(=O)Nc1ccncc1S(=O)(=O)Nc1cccc(OC(C)C)c1.
What is the InChIKey of ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate?
The InChIKey is RFNVMZNQLSTWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-4-24-17(21)19-15-8-9-18-11-16(15)26(22,23)20-13-6-5-7-14(10-13)25-12(2)3/h5-12,20H,4H2,1-3H3,(H,18,19,21).
What are the key properties of ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate?
ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate has a molecular weight of 379.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(3-propan-2-yloxyphenyl)sulfamoyl]-4-pyridinyl]carbamate is sourced from PubChem (CID 25046683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).