N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide

C16H20FNO3S — CID 167964826

IUPACN-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)CC(OC)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3S/c1-3-10-18(11-13-4-5-13)22(19,20)12-16(21-2)14-6-8-15(17)9-7-14/h1,6-9,13,16H,4-5,10-12H2,2H3
InChIKeyKMXZFAZPTDHKKJ-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.19
Rot. Bonds8

About N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide

N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide (PubChem CID 167964826) has the molecular formula C16H20FNO3S and a molecular weight of 325.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide
PubChem CID167964826
Molecular FormulaC16H20FNO3S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC NameN-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)CC(OC)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3S/c1-3-10-18(11-13-4-5-13)22(19,20)12-16(21-2)14-6-8-15(17)9-7-14/h1,6-9,13,16H,4-5,10-12H2,2H3
InChIKeyKMXZFAZPTDHKKJ-UHFFFAOYSA-N
XLogP2.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 115556481
1-fluoro-4-(1-methoxybut-3-ynyl)benzene
CID 121219866
N-(cyclopropylmethyl)-2-propan-2-yloxy-N-prop-2-ynylethanesulfonamide
CID 115556523
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 115556504
2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480
N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
CID 113334751
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
CID 113334772
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
[2-methylpropylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114816677
methyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749118
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide (CID 167964826) is N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide is C#CCN(CC1CC1)S(=O)(=O)CC(OC)c1ccc(F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide?
The InChIKey is KMXZFAZPTDHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3S/c1-3-10-18(11-13-4-5-13)22(19,20)12-16(21-2)14-6-8-15(17)9-7-14/h1,6-9,13,16H,4-5,10-12H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide?
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide has a molecular weight of 325.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-2-methoxy-N-prop-2-ynylethanesulfonamide is sourced from PubChem (CID 167964826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).