N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

C20H23FN2O4S — CID 29238978

IUPACN-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCCCOCC1CC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4S/c21-16-8-10-17(11-9-16)28(25,26)23-19-5-2-1-4-18(19)20(24)22-12-3-13-27-14-15-6-7-15/h1-2,4-5,8-11,15,23H,3,6-7,12-14H2,(H,22,24)
InChIKeyWXTYSQZWAMWXOO-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.17
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 29238978) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID29238978
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCCCOCC1CC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4S/c21-16-8-10-17(11-9-16)28(25,26)23-19-5-2-1-4-18(19)20(24)22-12-3-13-27-14-15-6-7-15/h1-2,4-5,8-11,15,23H,3,6-7,12-14H2,(H,22,24)
InChIKeyWXTYSQZWAMWXOO-UHFFFAOYSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.17
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

2-anilino-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 25471927
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 100539081
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 39567590
N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 18228148
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
2-(cyclopropylmethylamino)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 119676625
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
CID 18168914

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 29238978) is N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(NCCCOCC1CC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is WXTYSQZWAMWXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c21-16-8-10-17(11-9-16)28(25,26)23-19-5-2-1-4-18(19)20(24)22-12-3-13-27-14-15-6-7-15/h1-2,4-5,8-11,15,23H,3,6-7,12-14H2,(H,22,24).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.17, 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]-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 29238978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).