N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide

C18H26FNO3S — CID 135207313

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)N[C@@H](c1ccc(F)c(OCC2CC2)c1)C(C)C
InChIInChI=1S/C18H26FNO3S/c1-4-5-10-24(21,22)20-18(13(2)3)15-8-9-16(19)17(11-15)23-12-14-6-7-14/h4,8-9,11,13-14,18,20H,1,5-7,10,12H2,2-3H3/t18-/m1/s1
InChIKeyRTSOLTSCRUFHQX-GOSISDBHSA-N
MW355.48 g/mol
LogP3.81
Rot. Bonds10

About N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide (PubChem CID 135207313) has the molecular formula C18H26FNO3S and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide
PubChem CID135207313
Molecular FormulaC18H26FNO3S
Molecular Weight355.48 g/mol
Exact Mass355.16
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)N[C@@H](c1ccc(F)c(OCC2CC2)c1)C(C)C
InChIInChI=1S/C18H26FNO3S/c1-4-5-10-24(21,22)20-18(13(2)3)15-8-9-16(19)17(11-15)23-12-14-6-7-14/h4,8-9,11,13-14,18,20H,1,5-7,10,12H2,2-3H3/t18-/m1/s1
InChIKeyRTSOLTSCRUFHQX-GOSISDBHSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
2-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfamoyl]pentylamino]acetic acid
CID 135186512
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]-3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]propane-1-sulfonamide
CID 53234060
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]ethyl]but-3-ene-1-sulfonamide
CID 135204065
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]-4-[(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)amino]butane-1-sulfonamide
CID 139460708
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
N-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]but-3-ene-1-sulfonamide
CID 134544143
N-[(1R)-1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]but-3-ene-1-sulfonamide
CID 134541229
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]but-3-ene-1-sulfonamide
CID 134541356
N-[(1R)-1-[4-fluoro-3-[(2R)-3-hydroxy-2-methylpropoxy]phenyl]ethyl]but-3-ene-1-sulfonamide
CID 135186533
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353456

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide (CID 135207313) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)N[C@@H](c1ccc(F)c(OCC2CC2)c1)C(C)C.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide?
The InChIKey is RTSOLTSCRUFHQX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26FNO3S/c1-4-5-10-24(21,22)20-18(13(2)3)15-8-9-16(19)17(11-15)23-12-14-6-7-14/h4,8-9,11,13-14,18,20H,1,5-7,10,12H2,2-3H3/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide has a molecular weight of 355.48 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 135207313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).