N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide

C20H23FN2O5S — CID 41104484

IUPACN-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@@H](C)C2CC2)c1OC
InChIInChI=1S/C20H23FN2O5S/c1-12(13-8-9-13)22-20(24)15-10-14(11-18(27-2)19(15)28-3)29(25,26)23-17-7-5-4-6-16(17)21/h4-7,10-13,23H,8-9H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyFVEJBYQOWPIPDJ-LBPRGKRZSA-N
MW422.48 g/mol
LogP3.17
Rot. Bonds8

About N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide

N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide (PubChem CID 41104484) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
PubChem CID41104484
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC NameN-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@@H](C)C2CC2)c1OC
InChIInChI=1S/C20H23FN2O5S/c1-12(13-8-9-13)22-20(24)15-10-14(11-18(27-2)19(15)28-3)29(25,26)23-17-7-5-4-6-16(17)21/h4-7,10-13,23H,8-9H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyFVEJBYQOWPIPDJ-LBPRGKRZSA-N
XLogP3.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylaminocarbamoyl)-N-(2-fluorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 9163771
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 30502190
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 41080971
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 27364829
N-(2-amino-2-oxoethyl)-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide
CID 9295134
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate
CID 98384330
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoate
CID 98384329
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 17467750
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide (CID 41104484) is N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide is COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N[C@@H](C)C2CC2)c1OC.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide?
The InChIKey is FVEJBYQOWPIPDJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-12(13-8-9-13)22-20(24)15-10-14(11-18(27-2)19(15)28-3)29(25,26)23-17-7-5-4-6-16(17)21/h4-7,10-13,23H,8-9H2,1-3H3,(H,22,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide?
N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide has a molecular weight of 422.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 41104484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).