N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide

C15H21N3O3S — CID 166180766

IUPACN-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1
InChIInChI=1S/C15H21N3O3S/c1-12(19)16-13-7-6-8-14(11-13)22(20,21)17-15-9-4-3-5-10-18(15)2/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,19)/b17-15+
InChIKeyPMKDRODKOPMFNX-BMRADRMJSA-N
MW323.42 g/mol
LogP2.24
Rot. Bonds3

About N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide

N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide (PubChem CID 166180766) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
PubChem CID166180766
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1
InChIInChI=1S/C15H21N3O3S/c1-12(19)16-13-7-6-8-14(11-13)22(20,21)17-15-9-4-3-5-10-18(15)2/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,19)/b17-15+
InChIKeyPMKDRODKOPMFNX-BMRADRMJSA-N
XLogP2.24
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60549464
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]thiadiazole-5-carboxamide
CID 55920328
4-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-2-carboxamide
CID 55810712
2-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
CID 60549421
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55992179
N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 75895039
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-methylsulfonylbenzamide
CID 51957722
N-methyl-4-[3-[3-[(1-methylazepan-2-ylidene)amino]sulfonylanilino]-3-oxoprop-1-enyl]benzamide
CID 55813443
N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
CID 76867418
3-(5-chlorothiophen-2-yl)-N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]propanamide
CID 76867393
2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
CID 60549670
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-propan-2-ylbenzamide
CID 55881637

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide?
The IUPAC name of N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide (CID 166180766) is N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide?
The canonical SMILES for N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1.
What is the InChIKey of N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide?
The InChIKey is PMKDRODKOPMFNX-BMRADRMJSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-12(19)16-13-7-6-8-14(11-13)22(20,21)17-15-9-4-3-5-10-18(15)2/h6-8,11H,3-5,9-10H2,1-2H3,(H,16,19)/b17-15+.
What are the key properties of N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide?
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide is sourced from PubChem (CID 166180766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).