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

C12H16N2O3S — CID 43577077

IUPACN-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CCO)C1CC1)c1cccs1
InChIInChI=1S/C12H16N2O3S/c15-6-5-14(9-3-4-9)11(16)8-13-12(17)10-2-1-7-18-10/h1-2,7,9,15H,3-6,8H2,(H,13,17)
InChIKeySSTFBCGSMSAQAD-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.46
Rot. Bonds6

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

N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 43577077) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID43577077
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CCO)C1CC1)c1cccs1
InChIInChI=1S/C12H16N2O3S/c15-6-5-14(9-3-4-9)11(16)8-13-12(17)10-2-1-7-18-10/h1-2,7,9,15H,3-6,8H2,(H,13,17)
InChIKeySSTFBCGSMSAQAD-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60653313
N-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 102684785
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18169203
2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 62031099
N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 113476087
N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 109400317
N-[2-[cyclohexyl(methyl)amino]ethyl]thiophene-2-carboxamide
CID 86848703
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 115775171

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 43577077) is N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(CCO)C1CC1)c1cccs1.
What is the InChIKey of N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SSTFBCGSMSAQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-6-5-14(9-3-4-9)11(16)8-13-12(17)10-2-1-7-18-10/h1-2,7,9,15H,3-6,8H2,(H,13,17).
What are the key properties of N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 43577077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).