N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide

C13H12N2O2S2 — CID 6245628

IUPACN-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C13H12N2O2S2/c1-14-12(17)10-6-8-19-13(10)15-11(16)5-4-9-3-2-7-18-9/h2-8H,1H3,(H,14,17)(H,15,16)/b5-4+
InChIKeySEALZWXHJWRADX-SNAWJCMRSA-N
MW292.39 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide

N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide (PubChem CID 6245628) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
PubChem CID6245628
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC NameN-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C13H12N2O2S2/c1-14-12(17)10-6-8-19-13(10)15-11(16)5-4-9-3-2-7-18-9/h2-8H,1H3,(H,14,17)(H,15,16)/b5-4+
InChIKeySEALZWXHJWRADX-SNAWJCMRSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 17354102
methyl N-[4,5-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carbonyl]carbamate
CID 7520995
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
N-[3-[(E)-2-thiophen-2-ylethenyl]thiophen-2-yl]acetamide
CID 12666433
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
N-methyl-2-(pentanoylamino)thiophene-3-carboxamide
CID 7167243
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide (CID 6245628) is N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The InChIKey is SEALZWXHJWRADX-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-14-12(17)10-6-8-19-13(10)15-11(16)5-4-9-3-2-7-18-9/h2-8H,1H3,(H,14,17)(H,15,16)/b5-4+.
What are the key properties of N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 6245628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).