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

C12H18N2O3S — CID 43418062

IUPACN-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCCC(CO)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C12H18N2O3S/c1-2-10(7-15)14-11(16)3-5-13-12(17)9-4-6-18-8-9/h4,6,8,10,15H,2-3,5,7H2,1H3,(H,13,17)(H,14,16)
InChIKeyLEQRWZIJXYUFGK-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.76
Rot. Bonds7

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

N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 43418062) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID43418062
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCCC(CO)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C12H18N2O3S/c1-2-10(7-15)14-11(16)3-5-13-12(17)9-4-6-18-8-9/h4,6,8,10,15H,2-3,5,7H2,1H3,(H,13,17)(H,14,16)
InChIKeyLEQRWZIJXYUFGK-UHFFFAOYSA-N
XLogP0.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide (CID 43418062) is N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide is CCC(CO)NC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is LEQRWZIJXYUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-10(7-15)14-11(16)3-5-13-12(17)9-4-6-18-8-9/h4,6,8,10,15H,2-3,5,7H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxybutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 43418062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).