N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide

C21H25FN2O4S — CID 18228148

IUPACN-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCOCC3CC3)c2)cc1F
InChIInChI=1S/C21H25FN2O4S/c1-15-6-9-19(13-20(15)22)29(26,27)24-18-5-2-4-17(12-18)21(25)23-10-3-11-28-14-16-7-8-16/h2,4-6,9,12-13,16,24H,3,7-8,10-11,14H2,1H3,(H,23,25)
InChIKeyUHSNENQBXMOHSF-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.48
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide

N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (PubChem CID 18228148) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
PubChem CID18228148
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCOCC3CC3)c2)cc1F
InChIInChI=1S/C21H25FN2O4S/c1-15-6-9-19(13-20(15)22)29(26,27)24-18-5-2-4-17(12-18)21(25)23-10-3-11-28-14-16-7-8-16/h2,4-6,9,12-13,16,24H,3,7-8,10-11,14H2,1H3,(H,23,25)
InChIKeyUHSNENQBXMOHSF-UHFFFAOYSA-N
XLogP3.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 24687436
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide
CID 55975766
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 31737106
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27658939
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (CID 18228148) is N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCOCC3CC3)c2)cc1F.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UHSNENQBXMOHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-15-6-9-19(13-20(15)22)29(26,27)24-18-5-2-4-17(12-18)21(25)23-10-3-11-28-14-16-7-8-16/h2,4-6,9,12-13,16,24H,3,7-8,10-11,14H2,1H3,(H,23,25).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 18228148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).