N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C24H31N3O2S — CID 154840874

IUPACN-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(CC)C1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C24H31N3O2S/c1-3-26(4-2)20-11-13-27(16-20)24(29)21-12-14-30-23(21)25-22(28)19-10-9-17-7-5-6-8-18(17)15-19/h9-10,12,14-15,20H,3-8,11,13,16H2,1-2H3,(H,25,28)
InChIKeyXBMIAFXFUIUVBE-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.44
Rot. Bonds6

About N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 154840874) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID154840874
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(CC)C1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C24H31N3O2S/c1-3-26(4-2)20-11-13-27(16-20)24(29)21-12-14-30-23(21)25-22(28)19-10-9-17-7-5-6-8-18(17)15-19/h9-10,12,14-15,20H,3-8,11,13,16H2,1-2H3,(H,25,28)
InChIKeyXBMIAFXFUIUVBE-UHFFFAOYSA-N
XLogP4.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119485689
N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119423582
N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119579024
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
CID 119615790
3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid
CID 119362239
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-piperidin-4-ylthiophene-3-carboxamide
CID 119388601
4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
CID 119648185
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 119462719

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 154840874) is N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCN(CC)C1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCCC3)C1.
What is the InChIKey of N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XBMIAFXFUIUVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-3-26(4-2)20-11-13-27(16-20)24(29)21-12-14-30-23(21)25-22(28)19-10-9-17-7-5-6-8-18(17)15-19/h9-10,12,14-15,20H,3-8,11,13,16H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 425.60 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 154840874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).