N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide

C17H21N3O3S2 — CID 7392702

IUPACN-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC[C@H](C)/C(C)=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H21N3O3S2/c1-4-12(2)13(3)18-19-17(21)14-8-5-6-9-15(14)20-25(22,23)16-10-7-11-24-16/h5-12,20H,4H2,1-3H3,(H,19,21)/b18-13-/t12-/m0/s1
InChIKeyBMQCZEIESKMGDN-JYRXDZGKSA-N
MW379.51 g/mol
LogP3.70
Rot. Bonds7

About N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 7392702) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID7392702
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC[C@H](C)/C(C)=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H21N3O3S2/c1-4-12(2)13(3)18-19-17(21)14-8-5-6-9-15(14)20-25(22,23)16-10-7-11-24-16/h5-12,20H,4H2,1-3H3,(H,19,21)/b18-13-/t12-/m0/s1
InChIKeyBMQCZEIESKMGDN-JYRXDZGKSA-N
XLogP3.70
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 3451346
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 135679012
2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
N-[(E)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923750
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546
N-[(E)-1-[3-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923751
2-bromo-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9016507
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 7392702) is N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide is CC[C@H](C)/C(C)=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is BMQCZEIESKMGDN-JYRXDZGKSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-4-12(2)13(3)18-19-17(21)14-8-5-6-9-15(14)20-25(22,23)16-10-7-11-24-16/h5-12,20H,4H2,1-3H3,(H,19,21)/b18-13-/t12-/m0/s1.
What are the key properties of N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 379.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 7392702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).