3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C14H18N4O4S2 — CID 4801987

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H18N4O4S2/c1-3-22-11-4-6-12(7-5-11)24(20,21)15-9-8-13(19)16-14-18-17-10(2)23-14/h4-7,15H,3,8-9H2,1-2H3,(H,16,18,19)
InChIKeyUTNXGCMZKYORBC-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.55
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 4801987) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID4801987
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H18N4O4S2/c1-3-22-11-4-6-12(7-5-11)24(20,21)15-9-8-13(19)16-14-18-17-10(2)23-14/h4-7,15H,3,8-9H2,1-2H3,(H,16,18,19)
InChIKeyUTNXGCMZKYORBC-UHFFFAOYSA-N
XLogP1.55
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214739
N-(5-{2-[(4-methoxyphenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 3135542
4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 4616513
N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxobutanamide
CID 4872315
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192254
3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17192710
3-[(4-ethoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 36476751
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 36477586
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 55938392
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 56075828
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 56091005
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 71899531

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 4801987) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is UTNXGCMZKYORBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-3-22-11-4-6-12(7-5-11)24(20,21)15-9-8-13(19)16-14-18-17-10(2)23-14/h4-7,15H,3,8-9H2,1-2H3,(H,16,18,19).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 370.46 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 4801987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).