N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide

C16H17N3O3S — CID 8757694

IUPACN-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide
SMILESCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O3S/c1-10(15(21)18-19-16(23)17-11(2)20)22-14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3,(H,18,21)(H2,17,19,20,23)/t10-/m1/s1
InChIKeyBMNYUQPJGHZPCR-SNVBAGLBSA-N
MW331.40 g/mol
LogP1.65
Rot. Bonds3

About N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide

N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide (PubChem CID 8757694) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide
PubChem CID8757694
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide
SMILESCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O3S/c1-10(15(21)18-19-16(23)17-11(2)20)22-14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3,(H,18,21)(H2,17,19,20,23)/t10-/m1/s1
InChIKeyBMNYUQPJGHZPCR-SNVBAGLBSA-N
XLogP1.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-2-phenylacetamide
CID 4940325
4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4940315
N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide
CID 8757699
methyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate
CID 4940373
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide
CID 4885570
ethyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate
CID 4940374
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3,5-dinitrobenzamide
CID 4940286
(E)-3-naphthalen-1-yl-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]prop-2-enamide
CID 6234730
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
3-ethoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4957856
3-bromo-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17356143

Frequently Asked Questions

What is the IUPAC name of N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide?
The IUPAC name of N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide (CID 8757694) is N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide.
What is the SMILES notation for N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide?
The canonical SMILES for N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide is CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1.
What is the InChIKey of N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide?
The InChIKey is BMNYUQPJGHZPCR-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10(15(21)18-19-16(23)17-11(2)20)22-14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3,(H,18,21)(H2,17,19,20,23)/t10-/m1/s1.
What are the key properties of N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide?
N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide is sourced from PubChem (CID 8757694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).