2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide

C32H33N3O5S — CID 18174478

IUPAC2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2C(=O)Nc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C32H33N3O5S/c1-32(2,3)24-15-13-23(14-16-24)30(36)34-29-20-26(35-41(4,38)39)17-18-28(29)31(37)33-25-11-8-12-27(19-25)40-21-22-9-6-5-7-10-22/h5-20,35H,21H2,1-4H3,(H,33,37)(H,34,36)
InChIKeyIGSONJDKNMQPFT-UHFFFAOYSA-N
MW571.70 g/mol
LogP6.44
Rot. Bonds9

About 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide

2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide (PubChem CID 18174478) has the molecular formula C32H33N3O5S and a molecular weight of 571.70 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide
PubChem CID18174478
Molecular FormulaC32H33N3O5S
Molecular Weight571.70 g/mol
Exact Mass571.21
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2C(=O)Nc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C32H33N3O5S/c1-32(2,3)24-15-13-23(14-16-24)30(36)34-29-20-26(35-41(4,38)39)17-18-28(29)31(37)33-25-11-8-12-27(19-25)40-21-22-9-6-5-7-10-22/h5-20,35H,21H2,1-4H3,(H,33,37)(H,34,36)
InChIKeyIGSONJDKNMQPFT-UHFFFAOYSA-N
XLogP6.44
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.70
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 142866107
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide (CID 18174478) is 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2C(=O)Nc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide?
The InChIKey is IGSONJDKNMQPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O5S/c1-32(2,3)24-15-13-23(14-16-24)30(36)34-29-20-26(35-41(4,38)39)17-18-28(29)31(37)33-25-11-8-12-27(19-25)40-21-22-9-6-5-7-10-22/h5-20,35H,21H2,1-4H3,(H,33,37)(H,34,36).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide?
2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide has a molecular weight of 571.70 g/mol, XLogP of 6.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)amino]-4-(methanesulfonamido)-N-(3-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 18174478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).