2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide

C19H26BrN3O3S2 — CID 60510794

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
SMILESCCN(CC)C(CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccsc1
InChIInChI=1S/C19H26BrN3O3S2/c1-4-23(5-2)18(15-10-11-27-14-15)12-21-19(24)13-22(3)28(25,26)17-8-6-16(20)7-9-17/h6-11,14,18H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyZMAJQYNQTSYGOU-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.33
Rot. Bonds10

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide (PubChem CID 60510794) has the molecular formula C19H26BrN3O3S2 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
PubChem CID60510794
Molecular FormulaC19H26BrN3O3S2
Molecular Weight488.47 g/mol
Exact Mass487.06
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
SMILESCCN(CC)C(CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccsc1
InChIInChI=1S/C19H26BrN3O3S2/c1-4-23(5-2)18(15-10-11-27-14-15)12-21-19(24)13-22(3)28(25,26)17-8-6-16(20)7-9-17/h6-11,14,18H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyZMAJQYNQTSYGOU-UHFFFAOYSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 55830901
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
CID 112827263
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797738
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide
CID 55660187
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide
CID 55938993
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate
CID 56543925

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide (CID 60510794) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide is CCN(CC)C(CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccsc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is ZMAJQYNQTSYGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O3S2/c1-4-23(5-2)18(15-10-11-27-14-15)12-21-19(24)13-22(3)28(25,26)17-8-6-16(20)7-9-17/h6-11,14,18H,4-5,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 488.47 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 60510794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).