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

C13H20N2O2S — CID 43043080

IUPACN-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)C(C)NC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O2S/c1-9(2)10(3)15-12(16)6-7-14-13(17)11-5-4-8-18-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyXDEPWDAYXNUJSM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.03
Rot. Bonds6

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

N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 43043080) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID43043080
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)C(C)NC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O2S/c1-9(2)10(3)15-12(16)6-7-14-13(17)11-5-4-8-18-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyXDEPWDAYXNUJSM-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
N-[3-[1-(4-bromophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192625
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 103782548
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
CID 43469860
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
(2S,3R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 104964883
N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
CID 38196534
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide (CID 43043080) is N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide is CC(C)C(C)NC(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is XDEPWDAYXNUJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)10(3)15-12(16)6-7-14-13(17)11-5-4-8-18-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 43043080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).