N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide

C18H20N2O4S — CID 60514684

IUPACN-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide
SMILESCCOC1CC1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c1-2-24-17-12-16(17)18(21)19-13-7-6-8-14(11-13)20-25(22,23)15-9-4-3-5-10-15/h3-11,16-17,20H,2,12H2,1H3,(H,19,21)
InChIKeyJHKSPIOBNURHBZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.85
Rot. Bonds7

About N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide

N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide (PubChem CID 60514684) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide
PubChem CID60514684
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide
SMILESCCOC1CC1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c1-2-24-17-12-16(17)18(21)19-13-7-6-8-14(11-13)20-25(22,23)15-9-4-3-5-10-15/h3-11,16-17,20H,2,12H2,1H3,(H,19,21)
InChIKeyJHKSPIOBNURHBZ-UHFFFAOYSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46465654
5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 129414772
(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51949039
cis-(1S,2R)-N-(3-cyanophenyl)sulfonyl-2-ethoxycyclopropane-1-carboxamide
CID 95306950
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55706019
N-[3-(benzenesulfonamido)phenyl]-2-benzhydryloxyacetamide
CID 55721516
2-[3-(benzenesulfonamido)anilino]-N-pyridin-4-ylacetamide
CID 23206275
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide (CID 60514684) is N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide is CCOC1CC1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide?
The InChIKey is JHKSPIOBNURHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-24-17-12-16(17)18(21)19-13-7-6-8-14(11-13)20-25(22,23)15-9-4-3-5-10-15/h3-11,16-17,20H,2,12H2,1H3,(H,19,21).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide?
N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 60514684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).