N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide

C19H24N4O3S — CID 3204981

IUPACN'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide
SMILESCC(C)NC(=O)CN(Cc1cccs1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C19H24N4O3S/c1-14(2)21-18(25)13-23(12-15-6-5-11-27-15)19(26)9-8-17(24)22-16-7-3-4-10-20-16/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,21,25)(H,20,22,24)
InChIKeyQPGIWRCMEOLBES-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.42
Rot. Bonds9

About N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide

N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide (PubChem CID 3204981) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide
PubChem CID3204981
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide
SMILESCC(C)NC(=O)CN(Cc1cccs1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C19H24N4O3S/c1-14(2)21-18(25)13-23(12-15-6-5-11-27-15)19(26)9-8-17(24)22-16-7-3-4-10-20-16/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,21,25)(H,20,22,24)
InChIKeyQPGIWRCMEOLBES-UHFFFAOYSA-N
XLogP2.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(1S)-2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide
CID 40901678
N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205151
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204818
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204817
N'-(2-methylphenyl)-N-(3-methyl-2-pyridinyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]butanediamide
CID 3208524
N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide
CID 21156927
N'-[1-(4-chlorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylbutanediamide
CID 3204934
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204846
N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204785
N'-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204890

Frequently Asked Questions

What is the IUPAC name of N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide?
The IUPAC name of N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide (CID 3204981) is N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide?
The canonical SMILES for N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide is CC(C)NC(=O)CN(Cc1cccs1)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide?
The InChIKey is QPGIWRCMEOLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14(2)21-18(25)13-23(12-15-6-5-11-27-15)19(26)9-8-17(24)22-16-7-3-4-10-20-16/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,21,25)(H,20,22,24).
What are the key properties of N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide?
N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide has a molecular weight of 388.49 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide is sourced from PubChem (CID 3204981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).