4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide

C20H28N4O2S — CID 22830189

IUPAC4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCCCCc1nnc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C20H28N4O2S/c1-5-6-7-17-23-24-19(27-17)22-16(25)12-13-21-18(26)14-8-10-15(11-9-14)20(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,21,26)(H,22,24,25)
InChIKeyCMKACZQSWJYUMF-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.94
Rot. Bonds8

About 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 22830189) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID22830189
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCCCCc1nnc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C20H28N4O2S/c1-5-6-7-17-23-24-19(27-17)22-16(25)12-13-21-18(26)14-8-10-15(11-9-14)20(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,21,26)(H,22,24,25)
InChIKeyCMKACZQSWJYUMF-UHFFFAOYSA-N
XLogP3.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191796
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]-3,4-dichlorobenzamide
CID 86987400
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
CID 34111171
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24648115
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24648084
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
ethyl 2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55343953
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
CID 3116147

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide (CID 22830189) is 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide is CCCCc1nnc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is CMKACZQSWJYUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-5-6-7-17-23-24-19(27-17)22-16(25)12-13-21-18(26)14-8-10-15(11-9-14)20(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,21,26)(H,22,24,25).
What are the key properties of 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 388.54 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 22830189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).