N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C14H18N4O3S — CID 138004639

IUPACN-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1noc(C(C)N(C)C(=O)CCNC(=O)c2cccs2)n1
InChIInChI=1S/C14H18N4O3S/c1-9(14-16-10(2)17-21-14)18(3)12(19)6-7-15-13(20)11-5-4-8-22-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,20)
InChIKeyFMBQABBQXQHCCH-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.78
Rot. Bonds6

About N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 138004639) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID138004639
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1noc(C(C)N(C)C(=O)CCNC(=O)c2cccs2)n1
InChIInChI=1S/C14H18N4O3S/c1-9(14-16-10(2)17-21-14)18(3)12(19)6-7-15-13(20)11-5-4-8-22-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,20)
InChIKeyFMBQABBQXQHCCH-UHFFFAOYSA-N
XLogP1.78
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate
CID 86921526
3-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62825794
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
N-[3-[(4-bromothiophen-2-yl)methyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55742991
N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 75807703
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 55547339
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 138004639) is N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide is Cc1noc(C(C)N(C)C(=O)CCNC(=O)c2cccs2)n1.
What is the InChIKey of N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is FMBQABBQXQHCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(14-16-10(2)17-21-14)18(3)12(19)6-7-15-13(20)11-5-4-8-22-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,20).
What are the key properties of N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 138004639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).