N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide

C17H28N4O5S2 — CID 55429208

IUPACN-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H28N4O5S2/c1-19(28(24,25)17-5-3-12-27-17)14-16(23)21-9-7-20(8-10-21)13-15(22)18-6-4-11-26-2/h3,5,12H,4,6-11,13-14H2,1-2H3,(H,18,22)
InChIKeyFJJWGKXVZYPKLV-UHFFFAOYSA-N
MW432.57 g/mol
LogP-0.33
Rot. Bonds10

About N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 55429208) has the molecular formula C17H28N4O5S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide
PubChem CID55429208
Molecular FormulaC17H28N4O5S2
Molecular Weight432.57 g/mol
Exact Mass432.15
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H28N4O5S2/c1-19(28(24,25)17-5-3-12-27-17)14-16(23)21-9-7-20(8-10-21)13-15(22)18-6-4-11-26-2/h3,5,12H,4,6-11,13-14H2,1-2H3,(H,18,22)
InChIKeyFJJWGKXVZYPKLV-UHFFFAOYSA-N
XLogP-0.33
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[4-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperazin-1-yl]acetamide
CID 55428456
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 32771155
N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 9169589
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109
N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 55445521
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55586201
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide
CID 55427135

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide (CID 55429208) is N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is FJJWGKXVZYPKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O5S2/c1-19(28(24,25)17-5-3-12-27-17)14-16(23)21-9-7-20(8-10-21)13-15(22)18-6-4-11-26-2/h3,5,12H,4,6-11,13-14H2,1-2H3,(H,18,22).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 432.57 g/mol, XLogP of -0.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55429208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).