2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide

C16H24N4O3S — CID 2997797

IUPAC2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N4O3S/c1-11-4-6-12(7-5-11)18-14(21)10-20(2)15(22)13(8-9-24-3)19-16(17)23/h4-7,13H,8-10H2,1-3H3,(H,18,21)(H3,17,19,23)
InChIKeyLIQDQPQJDAERBX-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.18
Rot. Bonds8

About 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide (PubChem CID 2997797) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide
PubChem CID2997797
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H24N4O3S/c1-11-4-6-12(7-5-11)18-14(21)10-20(2)15(22)13(8-9-24-3)19-16(17)23/h4-7,13H,8-10H2,1-3H3,(H,18,21)(H3,17,19,23)
InChIKeyLIQDQPQJDAERBX-UHFFFAOYSA-N
XLogP1.18
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide (CID 2997797) is 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide?
The InChIKey is LIQDQPQJDAERBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-11-4-6-12(7-5-11)18-14(21)10-20(2)15(22)13(8-9-24-3)19-16(17)23/h4-7,13H,8-10H2,1-3H3,(H,18,21)(H3,17,19,23).
What are the key properties of 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide has a molecular weight of 352.46 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 2997797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).