N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H19N3O4S2 — CID 55723714

IUPACN-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C16H19N3O4S2/c1-11(18-16(21)14-8-5-9-24-14)15(20)17-10-12-6-3-4-7-13(12)19-25(2,22)23/h3-9,11,19H,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyXTOQCAFPRDKUJG-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.55
Rot. Bonds7

About N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55723714) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55723714
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C16H19N3O4S2/c1-11(18-16(21)14-8-5-9-24-14)15(20)17-10-12-6-3-4-7-13(12)19-25(2,22)23/h3-9,11,19H,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyXTOQCAFPRDKUJG-UHFFFAOYSA-N
XLogP1.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46643139
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
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N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide
CID 51301332
N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682542
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505
2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
CID 22395840
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55723714) is N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NCc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is XTOQCAFPRDKUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-11(18-16(21)14-8-5-9-24-14)15(20)17-10-12-6-3-4-7-13(12)19-25(2,22)23/h3-9,11,19H,10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55723714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).