3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

C21H29N3O5S2 — CID 24817072

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-2-29-17-5-7-18(8-6-17)31(26,27)23-10-9-21(25)22-16-19(20-4-3-15-30-20)24-11-13-28-14-12-24/h3-8,15,19,23H,2,9-14,16H2,1H3,(H,22,25)
InChIKeyGZQCJLPZBVXTBP-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.00
Rot. Bonds11

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 24817072) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID24817072
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-2-29-17-5-7-18(8-6-17)31(26,27)23-10-9-21(25)22-16-19(20-4-3-15-30-20)24-11-13-28-14-12-24/h3-8,15,19,23H,2,9-14,16H2,1H3,(H,22,25)
InChIKeyGZQCJLPZBVXTBP-UHFFFAOYSA-N
XLogP2.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 1147989
1-(4-But-2-ynyloxy-benzenesulfonyl)-4-(thiophene-2-carbonyl)-piperazine-2-carboxylic acid hydroxyamide
CID 9912235
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9036557
N-hydroxy-1-(4-methoxyphenylsulfonyl)-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 10622296
4-methoxy-N-{[1-(2-thienylcarbonyl)piperidin-3-yl]methyl}benzenesulfonamide
CID 16189611
N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24979484
1-[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 24981970
(R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(3-phenoxy-thiophen-2-ylmethyl)-amino]-propionamide
CID 44274147
N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 55479093
2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide
CID 3440250
4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(thiophen-2-ylmethyl)butanamide
CID 24818374

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (CID 24817072) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is GZQCJLPZBVXTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-2-29-17-5-7-18(8-6-17)31(26,27)23-10-9-21(25)22-16-19(20-4-3-15-30-20)24-11-13-28-14-12-24/h3-8,15,19,23H,2,9-14,16H2,1H3,(H,22,25).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 467.61 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 24817072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).