N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide

C15H18N2O2S — CID 71982666

IUPACN-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C15H18N2O2S/c1-17(2)9-11-4-6-12(7-5-11)16-15(18)14-8-13(19-3)10-20-14/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyMPKKFLNGRDKETK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.07
Rot. Bonds5

About N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide

N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide (PubChem CID 71982666) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide
PubChem CID71982666
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C15H18N2O2S/c1-17(2)9-11-4-6-12(7-5-11)16-15(18)14-8-13(19-3)10-20-14/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyMPKKFLNGRDKETK-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 79459948
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methoxythiophene-2-carboxamide
CID 81121383
N-(3-acetylphenyl)-4-methoxythiophene-2-carboxamide
CID 79459873
2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 10338959
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methoxythiophene-2-carboxamide
CID 81121633
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415
N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide
CID 75430673
N-[4-[(dimethylamino)methyl]phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 31416820
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methoxythiophene-2-carboxamide
CID 81119743
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide (CID 71982666) is N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)Nc2ccc(CN(C)C)cc2)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is MPKKFLNGRDKETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(2)9-11-4-6-12(7-5-11)16-15(18)14-8-13(19-3)10-20-14/h4-8,10H,9H2,1-3H3,(H,16,18).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide?
N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 71982666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).