N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide

C19H17N3O2S — CID 55539737

IUPACN-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESNC(=O)Nc1cccc(NC(=O)CSc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17N3O2S/c20-19(24)22-16-7-3-6-15(11-16)21-18(23)12-25-17-9-8-13-4-1-2-5-14(13)10-17/h1-11H,12H2,(H,21,23)(H3,20,22,24)
InChIKeyXJQALAFLQWROQK-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.06
Rot. Bonds5

About N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide

N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 55539737) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID55539737
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESNC(=O)Nc1cccc(NC(=O)CSc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17N3O2S/c20-19(24)22-16-7-3-6-15(11-16)21-18(23)12-25-17-9-8-13-4-1-2-5-14(13)10-17/h1-11H,12H2,(H,21,23)(H3,20,22,24)
InChIKeyXJQALAFLQWROQK-UHFFFAOYSA-N
XLogP4.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55825920
2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
CID 2358893
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 7402808
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908206
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide (CID 55539737) is N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide is NC(=O)Nc1cccc(NC(=O)CSc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is XJQALAFLQWROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c20-19(24)22-16-7-3-6-15(11-16)21-18(23)12-25-17-9-8-13-4-1-2-5-14(13)10-17/h1-11H,12H2,(H,21,23)(H3,20,22,24).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 351.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 55539737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).