N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

C30H30N2O2S — CID 18908304

IUPACN-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C30H30N2O2S/c1-4-28(30(34)31-25-16-14-21(15-17-25)20(2)3)35-27-11-7-10-26(19-27)32-29(33)24-13-12-22-8-5-6-9-23(22)18-24/h5-20,28H,4H2,1-3H3,(H,31,34)(H,32,33)
InChIKeyHREUFAIHGRBKGT-UHFFFAOYSA-N
MW482.65 g/mol
LogP7.72
Rot. Bonds8

About N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 18908304) has the molecular formula C30H30N2O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID18908304
Molecular FormulaC30H30N2O2S
Molecular Weight482.65 g/mol
Exact Mass482.20
IUPAC NameN-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESCCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C30H30N2O2S/c1-4-28(30(34)31-25-16-14-21(15-17-25)20(2)3)35-27-11-7-10-26(19-27)32-29(33)24-13-12-22-8-5-6-9-23(22)18-24/h5-20,28H,4H2,1-3H3,(H,31,34)(H,32,33)
InChIKeyHREUFAIHGRBKGT-UHFFFAOYSA-N
XLogP7.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-[1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18904852
2-methyl-N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]benzamide
CID 18906576
N-[3-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908339
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901392
N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299283
4-methoxy-N-[3-[1-oxo-1-(4-phenoxyanilino)butan-2-yl]sulfanylphenyl]benzamide
CID 18903718
N-[3-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxobutan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908302
4-oxo-4-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylanilino]butanoic acid
CID 18897156
N-naphthalen-2-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906004
N-[(E)-1-naphthalen-1-yl-3-oxo-3-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19311529
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-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (CID 18908304) is N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is CCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is HREUFAIHGRBKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2S/c1-4-28(30(34)31-25-16-14-21(15-17-25)20(2)3)35-27-11-7-10-26(19-27)32-29(33)24-13-12-22-8-5-6-9-23(22)18-24/h5-20,28H,4H2,1-3H3,(H,31,34)(H,32,33).
What are the key properties of N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 7.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18908304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).