N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide

C24H26N2O2S — CID 19631573

IUPACN-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H26N2O2S/c1-3-4-12-23(27)25-19-13-15-20(16-14-19)29-17(2)24(28)26-22-11-7-9-18-8-5-6-10-21(18)22/h5-11,13-17H,3-4,12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWDRUHVYLMBBEMF-UHFFFAOYSA-N
MW406.55 g/mol
LogP6.09
Rot. Bonds8

About N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide

N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide (PubChem CID 19631573) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
PubChem CID19631573
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC NameN-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H26N2O2S/c1-3-4-12-23(27)25-19-13-15-20(16-14-19)29-17(2)24(28)26-22-11-7-9-18-8-5-6-10-21(18)22/h5-11,13-17H,3-4,12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWDRUHVYLMBBEMF-UHFFFAOYSA-N
XLogP6.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 7785389
(Z)-2-methyl-4-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 19059410
2-[[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785226
N-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19631397
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19629753
4-methyl-3-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid
CID 22776337
N-[4-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 22776672
N-[3-[2-(naphthalen-1-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903197
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
N-[4-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 23095264
N-[(Z)-3-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 19715532
N-[4-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 22780210

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide?
The IUPAC name of N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide (CID 19631573) is N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide?
The canonical SMILES for N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1ccc(SC(C)C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide?
The InChIKey is WDRUHVYLMBBEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-3-4-12-23(27)25-19-13-15-20(16-14-19)29-17(2)24(28)26-22-11-7-9-18-8-5-6-10-21(18)22/h5-11,13-17H,3-4,12H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide?
N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide has a molecular weight of 406.55 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 19631573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).