methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate

C19H22N2O5S — CID 48541505

IUPACmethyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1C
InChIInChI=1S/C19H22N2O5S/c1-4-12-27(24,25)21-17-7-5-6-16(13(17)2)20-18(22)14-8-10-15(11-9-14)19(23)26-3/h5-11,21H,4,12H2,1-3H3,(H,20,22)
InChIKeyJKNYMUJCWMXKLR-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.19
Rot. Bonds7

About methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate

methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate (PubChem CID 48541505) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate
PubChem CID48541505
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1C
InChIInChI=1S/C19H22N2O5S/c1-4-12-27(24,25)21-17-7-5-6-16(13(17)2)20-18(22)14-8-10-15(11-9-14)19(23)26-3/h5-11,21H,4,12H2,1-3H3,(H,20,22)
InChIKeyJKNYMUJCWMXKLR-UHFFFAOYSA-N
XLogP3.19
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
CID 119301626
N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
CID 36709710
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
tert-butyl N-[3-[2-methyl-3-(propylsulfonylamino)anilino]-3-oxopropyl]carbamate
CID 48541913
N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide
CID 119301618
methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate
CID 17341399
methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
CID 956522
3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
CID 48541773
(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
CID 47078775
methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate (CID 48541505) is methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate is CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1C.
What is the InChIKey of methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate?
The InChIKey is JKNYMUJCWMXKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-12-27(24,25)21-17-7-5-6-16(13(17)2)20-18(22)14-8-10-15(11-9-14)19(23)26-3/h5-11,21H,4,12H2,1-3H3,(H,20,22).
What are the key properties of methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate?
methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate has a molecular weight of 390.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 48541505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).