5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide

C15H14ClN3O4S — CID 18144110

IUPAC5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)s1
InChIInChI=1S/C15H14ClN3O4S/c1-9(20)17-14-6-5-13(24-14)15(21)18(2)8-10-7-11(19(22)23)3-4-12(10)16/h3-7H,8H2,1-2H3,(H,17,20)
InChIKeyXGMWUTFBXSROSM-UHFFFAOYSA-N
MW367.81 g/mol
LogP3.54
Rot. Bonds5

About 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide

5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 18144110) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID18144110
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC Name5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)s1
InChIInChI=1S/C15H14ClN3O4S/c1-9(20)17-14-6-5-13(24-14)15(21)18(2)8-10-7-11(19(22)23)3-4-12(10)16/h3-7H,8H2,1-2H3,(H,17,20)
InChIKeyXGMWUTFBXSROSM-UHFFFAOYSA-N
XLogP3.54
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide
CID 51481363
N-[(2-chloro-5-nitrophenyl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 71901006
N-[(2-chloro-5-nitrophenyl)methyl]-2-(dimethylamino)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 75396466
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 86914869
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide
CID 51298848
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 51298851
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 51298245
N-[(2-chloro-5-nitrophenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 51258327
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-dimethyl-3,5-dinitrobenzamide
CID 78825891
N-[(2-chloro-5-nitrophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 51268613
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430478
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
CID 60960383

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide (CID 18144110) is 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)s1.
What is the InChIKey of 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is XGMWUTFBXSROSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c1-9(20)17-14-6-5-13(24-14)15(21)18(2)8-10-7-11(19(22)23)3-4-12(10)16/h3-7H,8H2,1-2H3,(H,17,20).
What are the key properties of 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide?
5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 18144110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).