N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

C27H29ClN4O6S — CID 91395371

About N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 91395371) has the molecular formula C27H29ClN4O6S and a molecular weight of 573.07 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• PubChem CID: 91395371
• Molecular Formula: C27H29ClN4O6S
• Molecular Weight: 573.07 g/mol
• Exact Mass: 572.15
• IUPAC Name: N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• SMILES: Cc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-c1cc[nH]c(=O)c1OCC(=O)NC(C)(C)C
• InChI: InChI=1S/C27H29ClN4O6S/c1-15-11-16(32-13-17(38-26(32)36)12-30-24(34)20-7-8-21(28)39-20)5-6-18(15)19-9-10-29-25(35)23(19)37-14-22(33)31-27(2,3)4/h5-11,17H,12-14H2,1-4H3,(H,29,35)(H,30,34)(H,31,33)/t17-/m0/s1
• InChIKey: RPCXTCCBJPAEEM-KRWDZBQOSA-N
• XLogP: 4.11
• TPSA: 129.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.07
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The IUPAC name of N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (CID 91395371) is N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

What is the SMILES notation for N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The canonical SMILES for N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is Cc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-c1cc[nH]c(=O)c1OCC(=O)NC(C)(C)C.

What is the InChIKey of N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The InChIKey is RPCXTCCBJPAEEM-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H29ClN4O6S/c1-15-11-16(32-13-17(38-26(32)36)12-30-24(34)20-7-8-21(28)39-20)5-6-18(15)19-9-10-29-25(35)23(19)37-14-22(33)31-27(2,3)4/h5-11,17H,12-14H2,1-4H3,(H,29,35)(H,30,34)(H,31,33)/t17-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 573.07 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 91395371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).