5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide

C27H31N3O5S — CID 92685464

IUPAC5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC
InChIInChI=1S/C27H31N3O5S/c1-6-28-26(32)23-17-22(14-15-24(23)35-5)36(33,34)30-21-9-7-8-20(16-21)29-25(31)18-10-12-19(13-11-18)27(2,3)4/h7-17,30H,6H2,1-5H3,(H,28,32)(H,29,31)
InChIKeyNWPIQPIFVWKIKE-UHFFFAOYSA-N
MW509.63 g/mol
LogP4.80
Rot. Bonds8

About 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide

5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide (PubChem CID 92685464) has the molecular formula C27H31N3O5S and a molecular weight of 509.63 g/mol. Its IUPAC name is 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
PubChem CID92685464
Molecular FormulaC27H31N3O5S
Molecular Weight509.63 g/mol
Exact Mass509.20
IUPAC Name5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC
InChIInChI=1S/C27H31N3O5S/c1-6-28-26(32)23-17-22(14-15-24(23)35-5)36(33,34)30-21-9-7-8-20(16-21)29-25(31)18-10-12-19(13-11-18)27(2,3)4/h7-17,30H,6H2,1-5H3,(H,28,32)(H,29,31)
InChIKeyNWPIQPIFVWKIKE-UHFFFAOYSA-N
XLogP4.80
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
4-tert-butyl-N-[3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]phenyl]benzamide
CID 100703019
5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282739
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 53283048
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
5-[(4-chlorophenyl)sulfamoyl]-2-methoxy-N-propylbenzamide
CID 27262052
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide?
The IUPAC name of 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide (CID 92685464) is 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide?
The canonical SMILES for 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide is CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC.
What is the InChIKey of 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide?
The InChIKey is NWPIQPIFVWKIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5S/c1-6-28-26(32)23-17-22(14-15-24(23)35-5)36(33,34)30-21-9-7-8-20(16-21)29-25(31)18-10-12-19(13-11-18)27(2,3)4/h7-17,30H,6H2,1-5H3,(H,28,32)(H,29,31).
What are the key properties of 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide?
5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide has a molecular weight of 509.63 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(4-tert-butylbenzoyl)amino]phenyl]sulfamoyl]-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 92685464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).