N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide

C17H23N3O3S — CID 41104654

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)C2CC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-4-20(5-2)24(22,23)15-10-6-13(7-11-15)16(21)19-17(3,12-18)14-8-9-14/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyDHNCWTGEJWXRGY-QGZVFWFLSA-N
MW349.46 g/mol
LogP2.14
Rot. Bonds7

About N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 41104654) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide
PubChem CID41104654
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)C2CC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-4-20(5-2)24(22,23)15-10-6-13(7-11-15)16(21)19-17(3,12-18)14-8-9-14/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyDHNCWTGEJWXRGY-QGZVFWFLSA-N
XLogP2.14
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide (CID 41104654) is N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)C2CC2)cc1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is DHNCWTGEJWXRGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-20(5-2)24(22,23)15-10-6-13(7-11-15)16(21)19-17(3,12-18)14-8-9-14/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 349.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 41104654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).