ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate

C15H23N3O5S — CID 46450279

IUPACethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCCCN(C)S(C)(=O)=O)c1
InChIInChI=1S/C15H23N3O5S/c1-4-23-15(20)17-13-8-5-7-12(11-13)14(19)16-9-6-10-18(2)24(3,21)22/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyLUZVFYGDVBOUTP-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.27
Rot. Bonds8

About ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate

ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate (PubChem CID 46450279) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate
PubChem CID46450279
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Nameethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCCCN(C)S(C)(=O)=O)c1
InChIInChI=1S/C15H23N3O5S/c1-4-23-15(20)17-13-8-5-7-12(11-13)14(19)16-9-6-10-18(2)24(3,21)22/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyLUZVFYGDVBOUTP-UHFFFAOYSA-N
XLogP1.27
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 17407696
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ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
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CID 37315817
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
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ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
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ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
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ethyl N-[3-[[6-[3-(dimethylamino)propylcarbamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]phenyl]carbamate
CID 25124754

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate (CID 46450279) is ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)NCCCN(C)S(C)(=O)=O)c1.
What is the InChIKey of ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate?
The InChIKey is LUZVFYGDVBOUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-4-23-15(20)17-13-8-5-7-12(11-13)14(19)16-9-6-10-18(2)24(3,21)22/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate?
ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate has a molecular weight of 357.43 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 46450279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).