N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide

C22H21N3O3S — CID 46635657

IUPACN-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1csc(N(C(=O)c2cccc(NC(=O)C3CCCO3)c2)c2ccccc2)n1
InChIInChI=1S/C22H21N3O3S/c1-15-14-29-22(23-15)25(18-9-3-2-4-10-18)21(27)16-7-5-8-17(13-16)24-20(26)19-11-6-12-28-19/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,24,26)
InChIKeyNCLYPBBDZQYKII-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.55
Rot. Bonds5

About N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 46635657) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID46635657
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1csc(N(C(=O)c2cccc(NC(=O)C3CCCO3)c2)c2ccccc2)n1
InChIInChI=1S/C22H21N3O3S/c1-15-14-29-22(23-15)25(18-9-3-2-4-10-18)21(27)16-7-5-8-17(13-16)24-20(26)19-11-6-12-28-19/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,24,26)
InChIKeyNCLYPBBDZQYKII-UHFFFAOYSA-N
XLogP4.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42891560
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42944410
N-[3-[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 56758407
N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42951709
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 46635657) is N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide is Cc1csc(N(C(=O)c2cccc(NC(=O)C3CCCO3)c2)c2ccccc2)n1.
What is the InChIKey of N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is NCLYPBBDZQYKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-15-14-29-22(23-15)25(18-9-3-2-4-10-18)21(27)16-7-5-8-17(13-16)24-20(26)19-11-6-12-28-19/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,24,26).
What are the key properties of N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methyl-1,3-thiazol-2-yl)-phenylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 46635657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).