4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide

C26H27N3O5S — CID 41080998

IUPAC4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H27N3O5S/c1-34-21-13-15-22(16-14-21)35(32,33)29-20-11-9-19(10-12-20)26(31)27-17-25(30)28-24-8-4-6-18-5-2-3-7-23(18)24/h2-3,5,7,9-16,24,29H,4,6,8,17H2,1H3,(H,27,31)(H,28,30)/t24-/m0/s1
InChIKeyJKMRTVKXLVBTCL-DEOSSOPVSA-N
MW493.59 g/mol
LogP3.42
Rot. Bonds8

About 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide

4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide (PubChem CID 41080998) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
PubChem CID41080998
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H27N3O5S/c1-34-21-13-15-22(16-14-21)35(32,33)29-20-11-9-19(10-12-20)26(31)27-17-25(30)28-24-8-4-6-18-5-2-3-7-23(18)24/h2-3,5,7,9-16,24,29H,4,6,8,17H2,1H3,(H,27,31)(H,28,30)/t24-/m0/s1
InChIKeyJKMRTVKXLVBTCL-DEOSSOPVSA-N
XLogP3.42
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 71768306
4-(phenylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42992525
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
2-[4-(phenylsulfamoyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553121
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-methoxybenzoate
CID 2510220
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7995350
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396012
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 143041747
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 4270506
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CID 9216707

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide (CID 41080998) is 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide?
The InChIKey is JKMRTVKXLVBTCL-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-34-21-13-15-22(16-14-21)35(32,33)29-20-11-9-19(10-12-20)26(31)27-17-25(30)28-24-8-4-6-18-5-2-3-7-23(18)24/h2-3,5,7,9-16,24,29H,4,6,8,17H2,1H3,(H,27,31)(H,28,30)/t24-/m0/s1.
What are the key properties of 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide?
4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide has a molecular weight of 493.59 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide is sourced from PubChem (CID 41080998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).