N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C22H25N3O4S2 — CID 24627396

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H25N3O4S2/c1-16-19(24-22(29-16)20-7-6-14-30-20)15-21(26)23-17-8-10-18(11-9-17)31(27,28)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,26)
InChIKeyADPNIGZWKBAMPN-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.46
Rot. Bonds6

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 24627396) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID24627396
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H25N3O4S2/c1-16-19(24-22(29-16)20-7-6-14-30-20)15-21(26)23-17-8-10-18(11-9-17)31(27,28)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,26)
InChIKeyADPNIGZWKBAMPN-UHFFFAOYSA-N
XLogP4.46
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide 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

2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 31703372
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 31046848
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55889281
N-(4-piperidin-1-ylsulfonylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049827
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514576
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24627592
N-(6-methoxy-3-pyridinyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701834

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 24627396) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is ADPNIGZWKBAMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-16-19(24-22(29-16)20-7-6-14-30-20)15-21(26)23-17-8-10-18(11-9-17)31(27,28)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,26).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 24627396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).