N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C18H19N3O3S2 — CID 7024273

IUPACN-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NN/C=C1/CC=CCC1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H19N3O3S2/c22-18(20-19-13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)21-26(23,24)17-11-6-12-25-17/h1-2,4-6,9-13,19,21H,3,7-8H2,(H,20,22)/b14-13-
InChIKeyXIFRBMSZEQHRPA-YPKPFQOOSA-N
MW389.50 g/mol
LogP3.41
Rot. Bonds6

About N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 7024273) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID7024273
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NN/C=C1/CC=CCC1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H19N3O3S2/c22-18(20-19-13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)21-26(23,24)17-11-6-12-25-17/h1-2,4-6,9-13,19,21H,3,7-8H2,(H,20,22)/b14-13-
InChIKeyXIFRBMSZEQHRPA-YPKPFQOOSA-N
XLogP3.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985
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CID 27698726
N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 46652903
N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 5064484
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698677
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
N-[2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156981
N-[2-[[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 2352679
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-[2-[[(3-methyl-1,2-oxazole-5-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 31800733

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 7024273) is N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is O=C(NN/C=C1/CC=CCC1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is XIFRBMSZEQHRPA-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-18(20-19-13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)21-26(23,24)17-11-6-12-25-17/h1-2,4-6,9-13,19,21H,3,7-8H2,(H,20,22)/b14-13-.
What are the key properties of N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7024273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).