(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide

C26H34N4O7S — CID 93473311

IUPAC(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(OC)c1
InChIInChI=1S/C26H34N4O7S/c1-17(31)27-20-6-9-23(10-7-20)38(34,35)30-13-11-21(12-14-30)29-26(33)24(28-18(2)32)15-19-5-8-22(36-3)16-25(19)37-4/h5-10,16,21,24H,11-15H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t24-/m0/s1
InChIKeyUZDYYQJIAJINFO-DEOSSOPVSA-N
MW546.65 g/mol
LogP1.68
Rot. Bonds10

About (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide

(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide (PubChem CID 93473311) has the molecular formula C26H34N4O7S and a molecular weight of 546.65 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide
PubChem CID93473311
Molecular FormulaC26H34N4O7S
Molecular Weight546.65 g/mol
Exact Mass546.21
IUPAC Name(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(OC)c1
InChIInChI=1S/C26H34N4O7S/c1-17(31)27-20-6-9-23(10-7-20)38(34,35)30-13-11-21(12-14-30)29-26(33)24(28-18(2)32)15-19-5-8-22(36-3)16-25(19)37-4/h5-10,16,21,24H,11-15H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t24-/m0/s1
InChIKeyUZDYYQJIAJINFO-DEOSSOPVSA-N
XLogP1.68
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.65
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 93473313
2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3231786
(2S)-2-acetamido-3-(2,3-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 98113998
2-acetamido-N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 3231782
2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 3232431
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5-dimethoxyphenyl)propanamide
CID 6490067
N-[4-[4-[(2-methoxyphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612547
(2S)-2-acetamido-3-(3-methoxyphenyl)-N-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)propanamide
CID 40783703
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
methyl 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidin-1-yl]sulfonylbenzoate
CID 3231798
N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 16608359
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide (CID 93473311) is (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide is COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(OC)c1.
What is the InChIKey of (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is UZDYYQJIAJINFO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H34N4O7S/c1-17(31)27-20-6-9-23(10-7-20)38(34,35)30-13-11-21(12-14-30)29-26(33)24(28-18(2)32)15-19-5-8-22(36-3)16-25(19)37-4/h5-10,16,21,24H,11-15H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t24-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide?
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 546.65 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 93473311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).