2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

C20H31N3O5S — CID 3207195

IUPAC2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H31N3O5S/c1-4-20(2,3)22-18(24)15-23(14-16-9-8-12-28-16)19(25)13-21-29(26,27)17-10-6-5-7-11-17/h5-7,10-11,16,21H,4,8-9,12-15H2,1-3H3,(H,22,24)
InChIKeyCXPAQDDCMQURAX-UHFFFAOYSA-N
MW425.55 g/mol
LogP1.28
Rot. Bonds10

About 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide

2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3207195) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3207195
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Name2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H31N3O5S/c1-4-20(2,3)22-18(24)15-23(14-16-9-8-12-28-16)19(25)13-21-29(26,27)17-10-6-5-7-11-17/h5-7,10-11,16,21H,4,8-9,12-15H2,1-3H3,(H,22,24)
InChIKeyCXPAQDDCMQURAX-UHFFFAOYSA-N
XLogP1.28
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 3207195) is 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is CCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CXPAQDDCMQURAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-4-20(2,3)22-18(24)15-23(14-16-9-8-12-28-16)19(25)13-21-29(26,27)17-10-6-5-7-11-17/h5-7,10-11,16,21H,4,8-9,12-15H2,1-3H3,(H,22,24).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3207195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).