5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C14H19BrN2O3S — CID 71847164

IUPAC5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NC(CCO)C1CC1
InChIInChI=1S/C14H19BrN2O3S/c1-8(16-14(20)11-4-5-12(15)21-11)13(19)17-10(6-7-18)9-2-3-9/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,16,20)(H,17,19)
InChIKeyKSRTYEBGBQBKBC-UHFFFAOYSA-N
MW375.29 g/mol
LogP1.91
Rot. Bonds7

About 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 71847164) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID71847164
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NC(CCO)C1CC1
InChIInChI=1S/C14H19BrN2O3S/c1-8(16-14(20)11-4-5-12(15)21-11)13(19)17-10(6-7-18)9-2-3-9/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,16,20)(H,17,19)
InChIKeyKSRTYEBGBQBKBC-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

methyl (3S)-3-[(5-bromothiophene-2-carbonyl)amino]-3-cyclopropylpropanoate
CID 97030137
5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 97061648
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 119575303
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-[(2S)-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]propan-2-yl]thiophene-2-carboxamide
CID 95778028
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822531
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119463754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 71847164) is 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C(=O)NC(CCO)C1CC1.
What is the InChIKey of 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is KSRTYEBGBQBKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-8(16-14(20)11-4-5-12(15)21-11)13(19)17-10(6-7-18)9-2-3-9/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 375.29 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71847164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).