N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide

C18H23N3O2S — CID 811745

IUPACN-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2cccs2)ccc1N(C)C
InChIInChI=1S/C18H23N3O2S/c1-5-21(6-2)18(23)14-12-13(9-10-15(14)20(3)4)19-17(22)16-8-7-11-24-16/h7-12H,5-6H2,1-4H3,(H,19,22)
InChIKeyDDZOJSLIYZWGNH-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.55
Rot. Bonds6

About N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide

N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide (PubChem CID 811745) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
PubChem CID811745
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2cccs2)ccc1N(C)C
InChIInChI=1S/C18H23N3O2S/c1-5-21(6-2)18(23)14-12-13(9-10-15(14)20(3)4)19-17(22)16-8-7-11-24-16/h7-12H,5-6H2,1-4H3,(H,19,22)
InChIKeyDDZOJSLIYZWGNH-UHFFFAOYSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
CID 3533936
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
CID 7125440
2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
CID 5021314
2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
CID 42747819
4-[2-(diethylcarbamoyl)-4-(thiophene-2-carbonylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42673267
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190
N-[4-(dimethylamino)-3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 42817220
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
CID 811746
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 42675249
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
N,N-diethylthiophene-2-carboxamide
CID 962897

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide (CID 811745) is N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide is CCN(CC)C(=O)c1cc(NC(=O)c2cccs2)ccc1N(C)C.
What is the InChIKey of N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is DDZOJSLIYZWGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-5-21(6-2)18(23)14-12-13(9-10-15(14)20(3)4)19-17(22)16-8-7-11-24-16/h7-12H,5-6H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide?
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 811745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).