(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide

C14H9N3O3S — CID 42387606

IUPAC(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide
SMILESN#Cc1ccsc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9N3O3S/c15-9-11-7-8-21-14(11)16-13(18)6-3-10-1-4-12(5-2-10)17(19)20/h1-8H,(H,16,18)/b6-3-
InChIKeyOIGUPVQMZJAUQV-UTCJRWHESA-N
MW299.31 g/mol
LogP3.18
Rot. Bonds4

About (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide

(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 42387606) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID42387606
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC Name(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide
SMILESN#Cc1ccsc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9N3O3S/c15-9-11-7-8-21-14(11)16-13(18)6-3-10-1-4-12(5-2-10)17(19)20/h1-8H,(H,16,18)/b6-3-
InChIKeyOIGUPVQMZJAUQV-UTCJRWHESA-N
XLogP3.18
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide
CID 8914890
(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 8915005
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
ethyl N-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carbonyl]carbamate
CID 7167151
(E)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7092285
(E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 2104472
4-cyano-N,N-diethyl-3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2-carboxamide
CID 6064426
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 4608443
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 896521
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(E)-3-(4-nitrophenyl)prop-2-enoyl cyanide
CID 20510489

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide (CID 42387606) is (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide is N#Cc1ccsc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is OIGUPVQMZJAUQV-UTCJRWHESA-N. The full InChI is InChI=1S/C14H9N3O3S/c15-9-11-7-8-21-14(11)16-13(18)6-3-10-1-4-12(5-2-10)17(19)20/h1-8H,(H,16,18)/b6-3-.
What are the key properties of (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide?
(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 299.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 42387606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).