N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide

C21H27FN2O6S — CID 170337987

IUPACN-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide
SMILESCCOc1cc(NC(=O)CCO)ccc1S(=O)(=O)Nc1ccc(OC)c(C(C)(C)F)c1
InChIInChI=1S/C21H27FN2O6S/c1-5-30-18-13-14(23-20(26)10-11-25)7-9-19(18)31(27,28)24-15-6-8-17(29-4)16(12-15)21(2,3)22/h6-9,12-13,24-25H,5,10-11H2,1-4H3,(H,23,26)
InChIKeyMPXBDZWNMKYKNW-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.42
Rot. Bonds10

About N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide

N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide (PubChem CID 170337987) has the molecular formula C21H27FN2O6S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide
PubChem CID170337987
Molecular FormulaC21H27FN2O6S
Molecular Weight454.52 g/mol
Exact Mass454.16
IUPAC NameN-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide
SMILESCCOc1cc(NC(=O)CCO)ccc1S(=O)(=O)Nc1ccc(OC)c(C(C)(C)F)c1
InChIInChI=1S/C21H27FN2O6S/c1-5-30-18-13-14(23-20(26)10-11-25)7-9-19(18)31(27,28)24-15-6-8-17(29-4)16(12-15)21(2,3)22/h6-9,12-13,24-25H,5,10-11H2,1-4H3,(H,23,26)
InChIKeyMPXBDZWNMKYKNW-UHFFFAOYSA-N
XLogP3.42
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide with MolForge

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
CID 26259494
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
N-[4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]-3-ethoxyphenyl]-4-methoxybenzamide
CID 170347895
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064
N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
CID 56573661
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(2-hydroxyethyl)-4-methylpentanamide
CID 169307929
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 169204494
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750
4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide?
The IUPAC name of N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide (CID 170337987) is N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide?
The canonical SMILES for N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide is CCOc1cc(NC(=O)CCO)ccc1S(=O)(=O)Nc1ccc(OC)c(C(C)(C)F)c1.
What is the InChIKey of N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide?
The InChIKey is MPXBDZWNMKYKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O6S/c1-5-30-18-13-14(23-20(26)10-11-25)7-9-19(18)31(27,28)24-15-6-8-17(29-4)16(12-15)21(2,3)22/h6-9,12-13,24-25H,5,10-11H2,1-4H3,(H,23,26).
What are the key properties of N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide?
N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide has a molecular weight of 454.52 g/mol, XLogP of 3.42, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-4-[[3-(2-fluoropropan-2-yl)-4-methoxyphenyl]sulfamoyl]phenyl]-3-hydroxypropanamide is sourced from PubChem (CID 170337987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).