2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide

C30H29N3O4S — CID 30129148

IUPAC2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)ccc21
InChIInChI=1S/C30H29N3O4S/c1-3-32-28-12-8-7-11-26(28)27-19-23(13-18-29(27)32)31-30(34)21-37-25-16-14-24(15-17-25)33(38(2,35)36)20-22-9-5-4-6-10-22/h4-19H,3,20-21H2,1-2H3,(H,31,34)
InChIKeyUYKMIVURIIDTJP-UHFFFAOYSA-N
MW527.65 g/mol
LogP5.80
Rot. Bonds9

About 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 30129148) has the molecular formula C30H29N3O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID30129148
Molecular FormulaC30H29N3O4S
Molecular Weight527.65 g/mol
Exact Mass527.19
IUPAC Name2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)ccc21
InChIInChI=1S/C30H29N3O4S/c1-3-32-28-12-8-7-11-26(28)27-19-23(13-18-29(27)32)31-30(34)21-37-25-16-14-24(15-17-25)33(38(2,35)36)20-22-9-5-4-6-10-22/h4-19H,3,20-21H2,1-2H3,(H,31,34)
InChIKeyUYKMIVURIIDTJP-UHFFFAOYSA-N
XLogP5.80
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-bromophenyl)acetamide
CID 30128918
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 30128970
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)acetamide
CID 30129033
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 30128830
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 30129121
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 21167732

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide (CID 30129148) is 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)COc3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)ccc21.
What is the InChIKey of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is UYKMIVURIIDTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4S/c1-3-32-28-12-8-7-11-26(28)27-19-23(13-18-29(27)32)31-30(34)21-37-25-16-14-24(15-17-25)33(38(2,35)36)20-22-9-5-4-6-10-22/h4-19H,3,20-21H2,1-2H3,(H,31,34).
What are the key properties of 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide?
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 527.65 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 30129148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).