N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C13H18N2O3S — CID 43576493

IUPACN-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(CCO)C1CC1)c1ccsc1
InChIInChI=1S/C13H18N2O3S/c16-7-6-15(11-1-2-11)12(17)3-5-14-13(18)10-4-8-19-9-10/h4,8-9,11,16H,1-3,5-7H2,(H,14,18)
InChIKeyCNPZFBLBLWEPJI-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.85
Rot. Bonds7

About N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 43576493) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID43576493
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(CCO)C1CC1)c1ccsc1
InChIInChI=1S/C13H18N2O3S/c16-7-6-15(11-1-2-11)12(17)3-5-14-13(18)10-4-8-19-9-10/h4,8-9,11,16H,1-3,5-7H2,(H,14,18)
InChIKeyCNPZFBLBLWEPJI-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201368
N-[1-(2-Methoxyethyl)piperidin-4-YL]thiophene-3-carboxamide
CID 47549497
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
CID 71789233
N-(2-hydroxy-3-(2-oxopyridin-1(2H)-yl)propyl)thiophene-3-carboxamide
CID 76150344
8-(Thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one
CID 110201624
N-(1-hydroxy-4,4-dimethylpentan-3-yl)thiophene-3-carboxamide
CID 75498495
N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 86283151
N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103723116
N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide
CID 103723171
N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103769624
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 103770460
N-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 103857516

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 43576493) is N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is O=C(NCCC(=O)N(CCO)C1CC1)c1ccsc1.
What is the InChIKey of N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is CNPZFBLBLWEPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-7-6-15(11-1-2-11)12(17)3-5-14-13(18)10-4-8-19-9-10/h4,8-9,11,16H,1-3,5-7H2,(H,14,18).
What are the key properties of N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 43576493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).