N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide

C31H33N3O5S — CID 146013921

IUPACN-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1
InChIInChI=1S/C31H33N3O5S/c1-31(2,3)34-40(37,38)28-15-9-12-24-25(28)13-8-14-26(24)32-30(36)27(20-21-16-18-23(39-4)19-17-21)33-29(35)22-10-6-5-7-11-22/h5-19,27,34H,20H2,1-4H3,(H,32,36)(H,33,35)/t27-/m0/s1
InChIKeyUJJUSBGWWZTNAT-MHZLTWQESA-N
MW559.69 g/mol
LogP4.91
Rot. Bonds9

About N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide

N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide (PubChem CID 146013921) has the molecular formula C31H33N3O5S and a molecular weight of 559.69 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide
PubChem CID146013921
Molecular FormulaC31H33N3O5S
Molecular Weight559.69 g/mol
Exact Mass559.21
IUPAC NameN-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1
InChIInChI=1S/C31H33N3O5S/c1-31(2,3)34-40(37,38)28-15-9-12-24-25(28)13-8-14-26(24)32-30(36)27(20-21-16-18-23(39-4)19-17-21)33-29(35)22-10-6-5-7-11-22/h5-19,27,34H,20H2,1-4H3,(H,32,36)(H,33,35)/t27-/m0/s1
InChIKeyUJJUSBGWWZTNAT-MHZLTWQESA-N
XLogP4.91
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.69
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nag 26
CID 91810287
Ynt-185
CID 122192250
N-(4-{[(4-methoxyphenyl)amino]sulfonyl}naphthyl)benzamide
CID 3384970
3-[[5-[3-[(2-Benzamidoacetyl)amino]phenyl]-2-methoxyphenyl]sulfonylamino]-3-phenylpropanoic acid
CID 21982386
N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-methylbenzamide
CID 122192246
US10968172, ID # 7b
CID 146503481
3-[4-methoxy-3-[[8-[methyl(3-phenylpropanoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 156717592
3-[4-methoxy-3-[[8-[methyl(phenylcarbamoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 156717594
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1298197
2-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 2967571
3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-(4-phenoxyphenyl)benzamide
CID 16034096
4-(benzyloxy)-N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)benzamide
CID 16105776

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide (CID 146013921) is N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide is COc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)Nc2cccc3c(S(=O)(=O)NC(C)(C)C)cccc23)cc1.
What is the InChIKey of N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide?
The InChIKey is UJJUSBGWWZTNAT-MHZLTWQESA-N. The full InChI is InChI=1S/C31H33N3O5S/c1-31(2,3)34-40(37,38)28-15-9-12-24-25(28)13-8-14-26(24)32-30(36)27(20-21-16-18-23(39-4)19-17-21)33-29(35)22-10-6-5-7-11-22/h5-19,27,34H,20H2,1-4H3,(H,32,36)(H,33,35)/t27-/m0/s1.
What are the key properties of N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide?
N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide has a molecular weight of 559.69 g/mol, XLogP of 4.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 146013921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).