N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide

C17H17N3O3S — CID 97464350

IUPACN-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)/C=C\c1cccs1
InChIInChI=1S/C17H17N3O3S/c18-15(21)9-10-19-17(23)13-5-1-2-6-14(13)20-16(22)8-7-12-4-3-11-24-12/h1-8,11H,9-10H2,(H2,18,21)(H,19,23)(H,20,22)/b8-7-
InChIKeyKKVIMPLPUXUEMC-FPLPWBNLSA-N
MW343.41 g/mol
LogP2.01
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide

N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide (PubChem CID 97464350) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
PubChem CID97464350
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)/C=C\c1cccs1
InChIInChI=1S/C17H17N3O3S/c18-15(21)9-10-19-17(23)13-5-1-2-6-14(13)20-16(22)8-7-12-4-3-11-24-12/h1-8,11H,9-10H2,(H2,18,21)(H,19,23)(H,20,22)/b8-7-
InChIKeyKKVIMPLPUXUEMC-FPLPWBNLSA-N
XLogP2.01
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6233590
N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 18089963
N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6234508
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
N-(3-amino-3-oxopropyl)-2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 56514869
2-[[(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
CID 56572105
N-ethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4949616
N-(3-amino-3-oxopropyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 56516538
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 8934605
N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 17354102
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-[2-(azepane-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234393

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide (CID 97464350) is N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide is NC(=O)CCNC(=O)c1ccccc1NC(=O)/C=C\c1cccs1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
The InChIKey is KKVIMPLPUXUEMC-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-15(21)9-10-19-17(23)13-5-1-2-6-14(13)20-16(22)8-7-12-4-3-11-24-12/h1-8,11H,9-10H2,(H2,18,21)(H,19,23)(H,20,22)/b8-7-.
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide has a molecular weight of 343.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 97464350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).