N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C33H32F3N3O4S — CID 3568034

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C33H32F3N3O4S/c1-43-20-19-39(44(41,42)31-12-6-8-25-7-2-3-10-29(25)31)23-32(40)38(22-24-13-15-27(16-14-24)33(34,35)36)18-17-26-21-37-30-11-5-4-9-28(26)30/h2-16,21,37H,17-20,22-23H2,1H3
InChIKeyPOZZJZADUVPUHK-UHFFFAOYSA-N
MW623.70 g/mol
LogP6.25
Rot. Bonds12

About N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 3568034) has the molecular formula C33H32F3N3O4S and a molecular weight of 623.70 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID3568034
Molecular FormulaC33H32F3N3O4S
Molecular Weight623.70 g/mol
Exact Mass623.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C33H32F3N3O4S/c1-43-20-19-39(44(41,42)31-12-6-8-25-7-2-3-10-29(25)31)23-32(40)38(22-24-13-15-27(16-14-24)33(34,35)36)18-17-26-21-37-30-11-5-4-9-28(26)30/h2-16,21,37H,17-20,22-23H2,1H3
InChIKeyPOZZJZADUVPUHK-UHFFFAOYSA-N
XLogP6.25
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.70
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 3620276
N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 4615720
2-[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 24717799
N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 3542257
N-benzyl-2-[butyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4084538
2-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4089916
2-[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 4611743
2-[(2,6-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 5225064
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4182857
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 4171560
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 4129679
2-[(2,4-difluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 3343581

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 3568034) is N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is POZZJZADUVPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N3O4S/c1-43-20-19-39(44(41,42)31-12-6-8-25-7-2-3-10-29(25)31)23-32(40)38(22-24-13-15-27(16-14-24)33(34,35)36)18-17-26-21-37-30-11-5-4-9-28(26)30/h2-16,21,37H,17-20,22-23H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 623.70 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[2-methoxyethyl(naphthalen-1-ylsulfonyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 3568034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).