N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide

C16H18N2O2S — CID 7268815

IUPACN-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
SMILESCC[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O2S/c1-3-11(2)15(19)17-12-6-4-7-13(10-12)18-16(20)14-8-5-9-21-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyUXUJVCMHDWDUDJ-NSHDSACASA-N
MW302.40 g/mol
LogP3.98
Rot. Bonds5

About N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 7268815) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID7268815
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
SMILESCC[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O2S/c1-3-11(2)15(19)17-12-6-4-7-13(10-12)18-16(20)14-8-5-9-21-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyUXUJVCMHDWDUDJ-NSHDSACASA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methylpropanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17099700
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
tert-butyl N-[(2R)-1-oxo-1-[3-(thiophene-2-carbonylamino)anilino]hexan-2-yl]carbamate
CID 97098299
N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
(2S)-2-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 33025180
N-[3-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]phenyl]thiophene-2-carboxamide
CID 51945750
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701089
N-[3-[(2-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 31516964
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide (CID 7268815) is N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide is CC[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is UXUJVCMHDWDUDJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-11(2)15(19)17-12-6-4-7-13(10-12)18-16(20)14-8-5-9-21-14/h4-11H,3H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 7268815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).