N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide

C16H18N2O2S — CID 75471137

IUPACN-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC2CCCOC2)c1)c1cccs1
InChIInChI=1S/C16H18N2O2S/c19-16(15-7-3-9-21-15)18-13-5-1-4-12(10-13)17-14-6-2-8-20-11-14/h1,3-5,7,9-10,14,17H,2,6,8,11H2,(H,18,19)
InChIKeyCHFVRJPMKONKSE-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.59
Rot. Bonds4

About N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide

N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide (PubChem CID 75471137) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide
PubChem CID75471137
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC2CCCOC2)c1)c1cccs1
InChIInChI=1S/C16H18N2O2S/c19-16(15-7-3-9-21-15)18-13-5-1-4-12(10-13)17-14-6-2-8-20-11-14/h1,3-5,7,9-10,14,17H,2,6,8,11H2,(H,18,19)
InChIKeyCHFVRJPMKONKSE-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 31518537
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N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
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(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
CID 95629895
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
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CID 847833
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
CID 55698247
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
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N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-[3-(thiophene-2-carbonylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide (CID 75471137) is N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(NC2CCCOC2)c1)c1cccs1.
What is the InChIKey of N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is CHFVRJPMKONKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(15-7-3-9-21-15)18-13-5-1-4-12(10-13)17-14-6-2-8-20-11-14/h1,3-5,7,9-10,14,17H,2,6,8,11H2,(H,18,19).
What are the key properties of N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide?
N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 75471137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).