(2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide

C20H19ClN2O3S — CID 51936316

IUPAC(2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCSc3ccc(Cl)cc32)c1)[C@@H]1CCCO1
InChIInChI=1S/C20H19ClN2O3S/c21-14-6-7-18-16(12-14)23(8-10-27-18)20(25)13-3-1-4-15(11-13)22-19(24)17-5-2-9-26-17/h1,3-4,6-7,11-12,17H,2,5,8-10H2,(H,22,24)/t17-/m0/s1
InChIKeyOAFYYTTUZGICPR-KRWDZBQOSA-N
MW402.90 g/mol
LogP4.21
Rot. Bonds3

About (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide

(2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide (PubChem CID 51936316) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide
PubChem CID51936316
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name(2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCSc3ccc(Cl)cc32)c1)[C@@H]1CCCO1
InChIInChI=1S/C20H19ClN2O3S/c21-14-6-7-18-16(12-14)23(8-10-27-18)20(25)13-3-1-4-15(11-13)22-19(24)17-5-2-9-26-17/h1,3-4,6-7,11-12,17H,2,5,8-10H2,(H,22,24)/t17-/m0/s1
InChIKeyOAFYYTTUZGICPR-KRWDZBQOSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 55669572
(2S)-N-[3-[[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 25469625
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46559932
N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
CID 55948150
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
(2R)-N-[3-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 94637367
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
CID 16835050
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide (CID 51936316) is (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCSc3ccc(Cl)cc32)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide?
The InChIKey is OAFYYTTUZGICPR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c21-14-6-7-18-16(12-14)23(8-10-27-18)20(25)13-3-1-4-15(11-13)22-19(24)17-5-2-9-26-17/h1,3-4,6-7,11-12,17H,2,5,8-10H2,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide?
(2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide has a molecular weight of 402.90 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 51936316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).