N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

C28H25N3O3S — CID 18908339

IUPACN-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C28H25N3O3S/c1-2-25(28(34)31-24-13-6-5-12-23(24)26(29)32)35-22-11-7-10-21(17-22)30-27(33)20-15-14-18-8-3-4-9-19(18)16-20/h3-17,25H,2H2,1H3,(H2,29,32)(H,30,33)(H,31,34)
InChIKeyBLZZLDPXXXJTMO-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.70
Rot. Bonds8

About N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 18908339) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID18908339
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC NameN-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C28H25N3O3S/c1-2-25(28(34)31-24-13-6-5-12-23(24)26(29)32)35-22-11-7-10-21(17-22)30-27(33)20-15-14-18-8-3-4-9-19(18)16-20/h3-17,25H,2H2,1H3,(H2,29,32)(H,30,33)(H,31,34)
InChIKeyBLZZLDPXXXJTMO-UHFFFAOYSA-N
XLogP5.70
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzamide
CID 18903443
N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908304
2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzamide
CID 18907475
N-[3-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908302
N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299283
3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18904852
4-methoxy-N-[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18903690
2-[[3-[1-(naphthalen-1-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895721
N-[3-[1-(2-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18903710
2-methyl-N-[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18906570
N-[3-[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902852
N-[3-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]naphthalene-2-carboxamide
CID 19318629

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (CID 18908339) is N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is CCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is BLZZLDPXXXJTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c1-2-25(28(34)31-24-13-6-5-12-23(24)26(29)32)35-22-11-7-10-21(17-22)30-27(33)20-15-14-18-8-3-4-9-19(18)16-20/h3-17,25H,2H2,1H3,(H2,29,32)(H,30,33)(H,31,34).
What are the key properties of N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 5.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18908339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).