N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide

C19H23N3O3S — CID 8757699

IUPACN-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O3S/c1-3-4-9-17(23)20-19(26)22-21-18(24)13(2)25-16-11-10-14-7-5-6-8-15(14)12-16/h5-8,10-13H,3-4,9H2,1-2H3,(H,21,24)(H2,20,22,23,26)/t13-/m0/s1
InChIKeyBBRFUIIGDGQPBI-ZDUSSCGKSA-N
MW373.48 g/mol
LogP2.82
Rot. Bonds6

About N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide

N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide (PubChem CID 8757699) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide.

Molecular Properties

Compound NameN-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide
PubChem CID8757699
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O3S/c1-3-4-9-17(23)20-19(26)22-21-18(24)13(2)25-16-11-10-14-7-5-6-8-15(14)12-16/h5-8,10-13H,3-4,9H2,1-2H3,(H,21,24)(H2,20,22,23,26)/t13-/m0/s1
InChIKeyBBRFUIIGDGQPBI-ZDUSSCGKSA-N
XLogP2.82
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.82
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

methyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate
CID 4940373
ethyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate
CID 4940374
N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide
CID 8757694
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-2-phenylacetamide
CID 4940325
N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]pentanamide
CID 17169527
2-methoxyethyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate
CID 17339019
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid
CID 8757642
(E)-3-naphthalen-1-yl-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]prop-2-enamide
CID 6234730
4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4940315
3-ethoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4957856
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide
CID 4885570

Frequently Asked Questions

What is the IUPAC name of N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide?
The IUPAC name of N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide (CID 8757699) is N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide.
What is the SMILES notation for N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide?
The canonical SMILES for N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide is CCCCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1.
What is the InChIKey of N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide?
The InChIKey is BBRFUIIGDGQPBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-4-9-17(23)20-19(26)22-21-18(24)13(2)25-16-11-10-14-7-5-6-8-15(14)12-16/h5-8,10-13H,3-4,9H2,1-2H3,(H,21,24)(H2,20,22,23,26)/t13-/m0/s1.
What are the key properties of N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide?
N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide has a molecular weight of 373.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide is sourced from PubChem (CID 8757699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).