N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide

C18H21N3OS — CID 141192457

IUPACN-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
SMILESCN(C)CCCn1ccc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C18H21N3OS/c1-20(2)9-4-10-21-11-8-14-13-15(6-7-16(14)21)19-18(22)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,19,22)
InChIKeyUYXUDXNKWPSUBF-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.91
Rot. Bonds6

About N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide

N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide (PubChem CID 141192457) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
PubChem CID141192457
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
SMILESCN(C)CCCn1ccc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C18H21N3OS/c1-20(2)9-4-10-21-11-8-14-13-15(6-7-16(14)21)19-18(22)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,19,22)
InChIKeyUYXUDXNKWPSUBF-UHFFFAOYSA-N
XLogP3.91
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
CID 141192454
N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9323762
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
CID 112981287
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83282723
N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 49499136
1-(4-butylphenyl)-3-[1-[2-(dimethylamino)ethyl]indol-5-yl]urea
CID 91111671
4-(5-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one
CID 63879726
anilino-[4-[[1-[3-(dimethylamino)propyl]indol-5-yl]amino]phenyl]methanol
CID 129228915
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828717
N-(1-ethylindol-5-yl)-2-thiophen-2-ylacetamide
CID 47083789
N-[2-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 30689470

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide (CID 141192457) is N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide is CN(C)CCCn1ccc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide?
The InChIKey is UYXUDXNKWPSUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-20(2)9-4-10-21-11-8-14-13-15(6-7-16(14)21)19-18(22)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide?
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 141192457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).