N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide

C15H23N3OS — CID 63981248

IUPACN-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
SMILESCCC(C)(C)N(C)CC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-5-15(2,3)18(4)10-13(19)17-12-9-7-6-8-11(12)14(16)20/h6-9H,5,10H2,1-4H3,(H2,16,20)(H,17,19)
InChIKeyRDGVUNFZYFUZMC-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.38
Rot. Bonds6

About N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide

N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide (PubChem CID 63981248) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
PubChem CID63981248
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
SMILESCCC(C)(C)N(C)CC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C15H23N3OS/c1-5-15(2,3)18(4)10-13(19)17-12-9-7-6-8-11(12)14(16)20/h6-9H,5,10H2,1-4H3,(H2,16,20)(H,17,19)
InChIKeyRDGVUNFZYFUZMC-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29002285
N-(2-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24705607
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide
CID 39160595
2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide
CID 61441785
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
CID 60685820
2-(3-ethylpentan-3-ylamino)benzenecarbothioamide
CID 65043708
N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide
CID 24707112

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide (CID 63981248) is N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide is CCC(C)(C)N(C)CC(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The InChIKey is RDGVUNFZYFUZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-15(2,3)18(4)10-13(19)17-12-9-7-6-8-11(12)14(16)20/h6-9H,5,10H2,1-4H3,(H2,16,20)(H,17,19).
What are the key properties of N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 63981248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).