5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide

C16H20N2O2S — CID 79612277

IUPAC5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide
SMILESCCCOc1cc(C)ccc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C16H20N2O2S/c1-3-6-20-15-7-11(2)4-5-14(15)18-9-13-8-12(10-21-13)16(17)19/h4-5,7-8,10,18H,3,6,9H2,1-2H3,(H2,17,19)
InChIKeyVSDGRUHPCGSTAX-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.56
Rot. Bonds7

About 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide

5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide (PubChem CID 79612277) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide
PubChem CID79612277
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide
SMILESCCCOc1cc(C)ccc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C16H20N2O2S/c1-3-6-20-15-7-11(2)4-5-14(15)18-9-13-8-12(10-21-13)16(17)19/h4-5,7-8,10,18H,3,6,9H2,1-2H3,(H2,17,19)
InChIKeyVSDGRUHPCGSTAX-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611398
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 102834473
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 115380179
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
ethyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79610647
4-methyl-N-[(5-nitrothiophen-3-yl)methyl]-2-propoxyaniline
CID 60935404
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide (CID 79612277) is 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide is CCCOc1cc(C)ccc1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide?
The InChIKey is VSDGRUHPCGSTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-6-20-15-7-11(2)4-5-14(15)18-9-13-8-12(10-21-13)16(17)19/h4-5,7-8,10,18H,3,6,9H2,1-2H3,(H2,17,19).
What are the key properties of 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide?
5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79612277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).