N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide

C15H16N2O3S — CID 51222342

IUPACN,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C15H16N2O3S/c1-10-7-8-14(21-10)15(18)16(3)11(2)12-5-4-6-13(9-12)17(19)20/h4-9,11H,1-3H3
InChIKeyGZOBURFNVNTCRM-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.80
Rot. Bonds4

About N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide

N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 51222342) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
PubChem CID51222342
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C15H16N2O3S/c1-10-7-8-14(21-10)15(18)16(3)11(2)12-5-4-6-13(9-12)17(19)20/h4-9,11H,1-3H3
InChIKeyGZOBURFNVNTCRM-UHFFFAOYSA-N
XLogP3.80
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
N,2,4,5-tetramethyl-N-[1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 24674773
2-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 115588142
(E)-1-(5-methylthiophen-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 9213008
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 24674767
3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408224
2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 103029241
1-methyl-3-(2-methyl-5-nitrophenyl)-1-[1-(3-nitrophenyl)ethyl]urea
CID 55696959
2-(azetidin-3-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 116678603
5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408377
2-[carboxymethyl-[1-(3-nitrophenyl)ethyl]amino]acetic acid
CID 65065601
(3S)-4,4,4-trifluoro-3-hydroxy-N,3-dimethyl-N-[(1R)-1-(3-nitrophenyl)ethyl]butanamide
CID 9076650

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide (CID 51222342) is N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)s1.
What is the InChIKey of N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is GZOBURFNVNTCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-7-8-14(21-10)15(18)16(3)11(2)12-5-4-6-13(9-12)17(19)20/h4-9,11H,1-3H3.
What are the key properties of N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide?
N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51222342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).