N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C26H30BrN3O4S2 — CID 3958361

IUPACN-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C26H30BrN3O4S2/c27-23-8-10-25(11-9-23)36(32,33)30(13-12-28-14-16-34-17-15-28)21-26(31)29(20-24-7-4-18-35-24)19-22-5-2-1-3-6-22/h1-11,18H,12-17,19-21H2
InChIKeyPFXVBXADUUGSJC-UHFFFAOYSA-N
MW592.58 g/mol
LogP4.06
Rot. Bonds11

About N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3958361) has the molecular formula C26H30BrN3O4S2 and a molecular weight of 592.58 g/mol. Its IUPAC name is N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3958361
Molecular FormulaC26H30BrN3O4S2
Molecular Weight592.58 g/mol
Exact Mass591.09
IUPAC NameN-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C26H30BrN3O4S2/c27-23-8-10-25(11-9-23)36(32,33)30(13-12-28-14-16-34-17-15-28)21-26(31)29(20-24-7-4-18-35-24)19-22-5-2-1-3-6-22/h1-11,18H,12-17,19-21H2
InChIKeyPFXVBXADUUGSJC-UHFFFAOYSA-N
XLogP4.06
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.58
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3612818
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1031857
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 4008750
N-[(4-fluorophenyl)methyl]-2-[2-morpholin-4-ylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1031865
2-[benzenesulfonyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773228
4-bromo-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4063947
2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4641947
N-benzyl-2-[butyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4562295
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913407
2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3634835
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4541913

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 3958361) is N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PFXVBXADUUGSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrN3O4S2/c27-23-8-10-25(11-9-23)36(32,33)30(13-12-28-14-16-34-17-15-28)21-26(31)29(20-24-7-4-18-35-24)19-22-5-2-1-3-6-22/h1-11,18H,12-17,19-21H2.
What are the key properties of N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 592.58 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3958361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).