N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide

C12H18N2O2S — CID 47459937

IUPACN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide
SMILESCCC(C)NC(=O)C(C)NC(=O)c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-4-8(2)13-11(15)9(3)14-12(16)10-5-6-17-7-10/h5-9H,4H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWTZZGUMPLOQTCG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.78
Rot. Bonds5

About N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide (PubChem CID 47459937) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide
PubChem CID47459937
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide
SMILESCCC(C)NC(=O)C(C)NC(=O)c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-4-8(2)13-11(15)9(3)14-12(16)10-5-6-17-7-10/h5-9H,4H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWTZZGUMPLOQTCG-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 64992041
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
N-pent-1-yn-3-ylthiophene-3-carboxamide
CID 103579364
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
N'-(2-hydroxypropanoyl)thiophene-3-carbohydrazide
CID 140739614
N-butan-2-yl-2-[[(4-fluorobenzoyl)amino]carbamoylamino]propanamide
CID 86861293

Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide (CID 47459937) is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide is CCC(C)NC(=O)C(C)NC(=O)c1ccsc1.
What is the InChIKey of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide?
The InChIKey is WTZZGUMPLOQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-4-8(2)13-11(15)9(3)14-12(16)10-5-6-17-7-10/h5-9H,4H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide?
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47459937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).