N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

C21H20ClNO3S — CID 19495432

IUPACN-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)ccc1OCc1csc(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C21H20ClNO3S/c1-13-7-8-18(19(9-13)25-3)26-11-15-10-20(27-12-15)21(24)23-17-6-4-5-16(22)14(17)2/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyMYMAUSKESSZXMT-UHFFFAOYSA-N
MW401.92 g/mol
LogP5.86
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19495432) has the molecular formula C21H20ClNO3S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19495432
Molecular FormulaC21H20ClNO3S
Molecular Weight401.92 g/mol
Exact Mass401.09
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)ccc1OCc1csc(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C21H20ClNO3S/c1-13-7-8-18(19(9-13)25-3)26-11-15-10-20(27-12-15)21(24)23-17-6-4-5-16(22)14(17)2/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyMYMAUSKESSZXMT-UHFFFAOYSA-N
XLogP5.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.92
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
N-(3-chloro-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495467
4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 19483266
N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495453
N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19497119
N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503027
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495460
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
4-[(2-methoxy-4-methylphenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19497104
N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500923
N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484576
N-(2-methoxy-5-methylphenyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484703

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19495432) is N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is COc1cc(C)ccc1OCc1csc(C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is MYMAUSKESSZXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3S/c1-13-7-8-18(19(9-13)25-3)26-11-15-10-20(27-12-15)21(24)23-17-6-4-5-16(22)14(17)2/h4-10,12H,11H2,1-3H3,(H,23,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).