N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide

C19H30N2O3S — CID 102219254

IUPACN-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C2=N[C@@H](C(C)(C)C)CO2)C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3S/c1-13-8-10-14(11-9-13)25(22,23)21-16(19(5,6)7)17-20-15(12-24-17)18(2,3)4/h8-11,15-16,21H,12H2,1-7H3/t15-,16-/m1/s1
InChIKeyKOMZATSJIUWVLO-HZPDHXFCSA-N
MW366.53 g/mol
LogP3.53
Rot. Bonds4

About N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide

N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide (PubChem CID 102219254) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide
PubChem CID102219254
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C2=N[C@@H](C(C)(C)C)CO2)C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3S/c1-13-8-10-14(11-9-13)25(22,23)21-16(19(5,6)7)17-20-15(12-24-17)18(2,3)4/h8-11,15-16,21H,12H2,1-7H3/t15-,16-/m1/s1
InChIKeyKOMZATSJIUWVLO-HZPDHXFCSA-N
XLogP3.53
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 3819693
(R)-N-[(3S,4E)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-yl]-4-methylbenzenesulfinamide
CID 51357490
N-tosyl-formimino-morpholine
CID 129705479
N-[3,3-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]butyl]-4-methylbenzenesulfonamide
CID 134839831
N-[(3S)-3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]hex-5-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 134881198
4-methyl-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 135033131
N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 3701591
2-(dimethylamino)ethyl (1Z)-N-(4-methylphenyl)sulfonylethanimidate
CID 5887161
Ethyl 3-[(4-methylphenyl)sulfonylamino]propanimidate;hydrochloride
CID 14110108
Ethyl 3-[(4-methylphenyl)sulfonylamino]propanimidate
CID 419314
N-(1,3-diethoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 12191104
Xiluoqhqamnfey-qrwmctbcsa-
CID 44631354

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide (CID 102219254) is N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C2=N[C@@H](C(C)(C)C)CO2)C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is KOMZATSJIUWVLO-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-13-8-10-14(11-9-13)25(22,23)21-16(19(5,6)7)17-20-15(12-24-17)18(2,3)4/h8-11,15-16,21H,12H2,1-7H3/t15-,16-/m1/s1.
What are the key properties of N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide?
N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,2-dimethylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102219254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).