N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide

C28H30N4O4S — CID 93201661

IUPACN-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
SMILESCc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C28H30N4O4S/c1-19-5-3-6-20(17-19)18-32-24(27(34)31-14-12-30(2)13-15-31)25(36-28(32)35)21-8-10-22(11-9-21)29-26(33)23-7-4-16-37-23/h3-11,16-17,24-25H,12-15,18H2,1-2H3,(H,29,33)/t24-,25+/m1/s1
InChIKeyCHYAHBJJVNHYJB-RPBOFIJWSA-N
MW518.64 g/mol
LogP4.14
Rot. Bonds6

About N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide

N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 93201661) has the molecular formula C28H30N4O4S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
PubChem CID93201661
Molecular FormulaC28H30N4O4S
Molecular Weight518.64 g/mol
Exact Mass518.20
IUPAC NameN-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
SMILESCc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C28H30N4O4S/c1-19-5-3-6-20(17-19)18-32-24(27(34)31-14-12-30(2)13-15-31)25(36-28(32)35)21-8-10-22(11-9-21)29-26(33)23-7-4-16-37-23/h3-11,16-17,24-25H,12-15,18H2,1-2H3,(H,29,33)/t24-,25+/m1/s1
InChIKeyCHYAHBJJVNHYJB-RPBOFIJWSA-N
XLogP4.14
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93201653
N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93203395
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42840827
(4S,5S)-N-(3-methylbutyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93201648
N-[2-(dimethylamino)ethyl]-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46021088
(4S,5R)-N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93201626
N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93202336
3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840582
N-[3-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841022
N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841411
N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
CID 42841221
(4S,5R)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 98423546

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide (CID 93201661) is N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide is Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is CHYAHBJJVNHYJB-RPBOFIJWSA-N. The full InChI is InChI=1S/C28H30N4O4S/c1-19-5-3-6-20(17-19)18-32-24(27(34)31-14-12-30(2)13-15-31)25(36-28(32)35)21-8-10-22(11-9-21)29-26(33)23-7-4-16-37-23/h3-11,16-17,24-25H,12-15,18H2,1-2H3,(H,29,33)/t24-,25+/m1/s1.
What are the key properties of N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?
N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 518.64 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 93201661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).