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

C27H27N3O4S — CID 93201653

IUPACN-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
SMILESCc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)N2CCCC2)c1
InChIInChI=1S/C27H27N3O4S/c1-18-6-4-7-19(16-18)17-30-23(26(32)29-13-2-3-14-29)24(34-27(30)33)20-9-11-21(12-10-20)28-25(31)22-8-5-15-35-22/h4-12,15-16,23-24H,2-3,13-14,17H2,1H3,(H,28,31)/t23-,24+/m1/s1
InChIKeyOFIDTTWUFWNDEV-RPWUZVMVSA-N
MW489.60 g/mol
LogP4.99
Rot. Bonds6

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

N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 93201653) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
PubChem CID93201653
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
SMILESCc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)N2CCCC2)c1
InChIInChI=1S/C27H27N3O4S/c1-18-6-4-7-19(16-18)17-30-23(26(32)29-13-2-3-14-29)24(34-27(30)33)20-9-11-21(12-10-20)28-25(31)22-8-5-15-35-22/h4-12,15-16,23-24H,2-3,13-14,17H2,1H3,(H,28,31)/t23-,24+/m1/s1
InChIKeyOFIDTTWUFWNDEV-RPWUZVMVSA-N
XLogP4.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42840827
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
(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
N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841411
3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840582
5-[4-[(4-methylbenzoyl)amino]phenyl]-3-[(3-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42840882
3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841315
(4S,5S)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 98423544

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 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) is N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-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)N2CCCC2)c1.
What is the InChIKey of N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is OFIDTTWUFWNDEV-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-18-6-4-7-19(16-18)17-30-23(26(32)29-13-2-3-14-29)24(34-27(30)33)20-9-11-21(12-10-20)28-25(31)22-8-5-15-35-22/h4-12,15-16,23-24H,2-3,13-14,17H2,1H3,(H,28,31)/t23-,24+/m1/s1.
What are the key properties of N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide?
N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 93201653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).