N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C13H20N2O2S — CID 134006121

IUPACN-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCC(C)N(C)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C13H20N2O2S/c1-4-10(2)15(3)12(16)5-7-14-13(17)11-6-8-18-9-11/h6,8-10H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyLKDXZCKTDXQXQL-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.12
Rot. Bonds6

About N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 134006121) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID134006121
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCC(C)N(C)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C13H20N2O2S/c1-4-10(2)15(3)12(16)5-7-14-13(17)11-6-8-18-9-11/h6,8-10H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyLKDXZCKTDXQXQL-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 46590732
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 31160526
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803647
N-[2-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821
methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
CID 61224315
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987

Frequently Asked Questions

What is the IUPAC name of N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 134006121) is N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide is CCC(C)N(C)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is LKDXZCKTDXQXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-10(2)15(3)12(16)5-7-14-13(17)11-6-8-18-9-11/h6,8-10H,4-5,7H2,1-3H3,(H,14,17).
What are the key properties of N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 134006121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).