N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide

C19H22N2O3S2 — CID 50835263

IUPACN-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCc1cc(-c2csc(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)on1
InChIInChI=1S/C19H22N2O3S2/c1-4-17-11-18(24-20-17)16-10-19(25-13-16)26(22,23)21(14(2)3)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3
InChIKeyBJGMFSMKXRVIJP-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.56
Rot. Bonds7

About N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide

N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 50835263) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID50835263
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCCc1cc(-c2csc(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)on1
InChIInChI=1S/C19H22N2O3S2/c1-4-17-11-18(24-20-17)16-10-19(25-13-16)26(22,23)21(14(2)3)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3
InChIKeyBJGMFSMKXRVIJP-UHFFFAOYSA-N
XLogP4.56
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61300920
4-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)thiophene-2-sulfonamide
CID 46393030
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 50835113
N-benzyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127265
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 50835221
ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate
CID 113330854
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315
N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
CID 63464320
N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 53134976
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 42823025

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide (CID 50835263) is N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide is CCc1cc(-c2csc(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)on1.
What is the InChIKey of N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is BJGMFSMKXRVIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-4-17-11-18(24-20-17)16-10-19(25-13-16)26(22,23)21(14(2)3)12-15-8-6-5-7-9-15/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide?
N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 50835263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).