N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C18H19N3O3S2 — CID 7392718

IUPACN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C\[C@@H]1CC=CCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H19N3O3S2/c22-18(20-19-13-14-5-2-1-3-6-14)15-8-10-16(11-9-15)21-26(23,24)17-7-4-12-25-17/h1-2,4,7-14,21H,3,5-6H2,(H,20,22)/b19-13-/t14-/m1/s1
InChIKeyNPJZQQHVTFUDAK-RMENWYJGSA-N
MW389.50 g/mol
LogP3.62
Rot. Bonds6

About N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 7392718) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID7392718
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C\[C@@H]1CC=CCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H19N3O3S2/c22-18(20-19-13-14-5-2-1-3-6-14)15-8-10-16(11-9-15)21-26(23,24)17-7-4-12-25-17/h1-2,4,7-14,21H,3,5-6H2,(H,20,22)/b19-13-/t14-/m1/s1
InChIKeyNPJZQQHVTFUDAK-RMENWYJGSA-N
XLogP3.62
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 135745545
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18206532
N-[(4-tert-butylphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2382657
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6904011
N-[(4-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2370561
N-[(E)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6902842
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 24703518
N-(1-cyclopropylpiperidin-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41269183
N-[1-(4-nitrophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 4246349

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 7392718) is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(N/N=C\[C@@H]1CC=CCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is NPJZQQHVTFUDAK-RMENWYJGSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-18(20-19-13-14-5-2-1-3-6-14)15-8-10-16(11-9-15)21-26(23,24)17-7-4-12-25-17/h1-2,4,7-14,21H,3,5-6H2,(H,20,22)/b19-13-/t14-/m1/s1.
What are the key properties of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 7392718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).