N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide

C11H16N2O3S — CID 43418753

IUPACN-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(CO)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-8(6-14)13-10(15)2-4-12-11(16)9-3-5-17-7-9/h3,5,7-8,14H,2,4,6H2,1H3,(H,12,16)(H,13,15)
InChIKeyHKZHIYIOJKZSHU-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.37
Rot. Bonds6

About N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 43418753) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID43418753
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(CO)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-8(6-14)13-10(15)2-4-12-11(16)9-3-5-17-7-9/h3,5,7-8,14H,2,4,6H2,1H3,(H,12,16)(H,13,15)
InChIKeyHKZHIYIOJKZSHU-UHFFFAOYSA-N
XLogP0.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide (CID 43418753) is N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide is CC(CO)NC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is HKZHIYIOJKZSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(6-14)13-10(15)2-4-12-11(16)9-3-5-17-7-9/h3,5,7-8,14H,2,4,6H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 43418753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).