N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C22H30N2O6S2 — CID 24980787

IUPACN-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCCC
InChIInChI=1S/C22H30N2O6S2/c1-3-11-29-19-7-5-17(15-20(19)30-12-4-2)23-21(25)16-18-6-8-22(31-18)32(26,27)24-9-13-28-14-10-24/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,23,25)
InChIKeyPVRQTRTZBHRBFQ-UHFFFAOYSA-N
MW482.62 g/mol
LogP3.53
Rot. Bonds11

About N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24980787) has the molecular formula C22H30N2O6S2 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24980787
Molecular FormulaC22H30N2O6S2
Molecular Weight482.62 g/mol
Exact Mass482.15
IUPAC NameN-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCCC
InChIInChI=1S/C22H30N2O6S2/c1-3-11-29-19-7-5-17(15-20(19)30-12-4-2)23-21(25)16-18-6-8-22(31-18)32(26,27)24-9-13-28-14-10-24/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,23,25)
InChIKeyPVRQTRTZBHRBFQ-UHFFFAOYSA-N
XLogP3.53
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 29
CID 23645564
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 2093114
N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 1535321
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
N-(3,4-Dimethoxyphenyl)-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4094700
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-(3,4-dimethoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15989583
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2432020
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 2434102
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 3235901
N~2~-[(5-bromothien-2-yl)sulfonyl]-N~1~-2,3-dihydro-1,4-benzodioxin-6-ylglycinamide
CID 3236287

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24980787) is N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CCCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is PVRQTRTZBHRBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S2/c1-3-11-29-19-7-5-17(15-20(19)30-12-4-2)23-21(25)16-18-6-8-22(31-18)32(26,27)24-9-13-28-14-10-24/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 482.62 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24980787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).