N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C18H22N2O3S — CID 110878206

IUPACN-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCCC(CO)NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-2-14(12-21)19-17(22)15(11-13-7-4-3-5-8-13)20-18(23)16-9-6-10-24-16/h3-10,14-15,21H,2,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeySETAELAFQIQQEG-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.98
Rot. Bonds8

About N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 110878206) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID110878206
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCCC(CO)NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-2-14(12-21)19-17(22)15(11-13-7-4-3-5-8-13)20-18(23)16-9-6-10-24-16/h3-10,14-15,21H,2,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeySETAELAFQIQQEG-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 120615307
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112762250
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
(3,3-dimethyl-2-oxobutyl) (2R)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2102828
N-[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24546913
N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55847538
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 110878206) is N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CCC(CO)NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.
What is the InChIKey of N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is SETAELAFQIQQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-14(12-21)19-17(22)15(11-13-7-4-3-5-8-13)20-18(23)16-9-6-10-24-16/h3-10,14-15,21H,2,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 110878206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).