2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide

C17H26N4O3S — CID 4068790

IUPAC2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)N(C)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H26N4O3S/c1-11-5-6-12(2)14(9-11)19-15(22)10-21(3)16(23)13(7-8-25-4)20-17(18)24/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,22)(H3,18,20,24)
InChIKeyMCVVOEBFTQKNPG-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.49
Rot. Bonds8

About 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide (PubChem CID 4068790) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
PubChem CID4068790
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)N(C)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C17H26N4O3S/c1-11-5-6-12(2)14(9-11)19-15(22)10-21(3)16(23)13(7-8-25-4)20-17(18)24/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,22)(H3,18,20,24)
InChIKeyMCVVOEBFTQKNPG-UHFFFAOYSA-N
XLogP1.49
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide (CID 4068790) is 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)N(C)CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is MCVVOEBFTQKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-11-5-6-12(2)14(9-11)19-15(22)10-21(3)16(23)13(7-8-25-4)20-17(18)24/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,22)(H3,18,20,24).
What are the key properties of 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 366.49 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 4068790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).