(2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide

C10H15ClN2O5S3 — CID 97255208

IUPAC(2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(N)=O
InChIInChI=1S/C10H15ClN2O5S3/c1-5(2)8(10(12)14)13-21(17,18)6-4-7(19-9(6)11)20(3,15)16/h4-5,8,13H,1-3H3,(H2,12,14)/t8-/m0/s1
InChIKeyINSWNGIVOZXBTQ-QMMMGPOBSA-N
MW374.89 g/mol
LogP0.59
Rot. Bonds6

About (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide

(2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide (PubChem CID 97255208) has the molecular formula C10H15ClN2O5S3 and a molecular weight of 374.89 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide
PubChem CID97255208
Molecular FormulaC10H15ClN2O5S3
Molecular Weight374.89 g/mol
Exact Mass373.98
IUPAC Name(2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(N)=O
InChIInChI=1S/C10H15ClN2O5S3/c1-5(2)8(10(12)14)13-21(17,18)6-4-7(19-9(6)11)20(3,15)16/h4-5,8,13H,1-3H3,(H2,12,14)/t8-/m0/s1
InChIKeyINSWNGIVOZXBTQ-QMMMGPOBSA-N
XLogP0.59
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343844
(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137324
2-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343847
2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
CID 106345606
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
2-[(2-amino-3-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343813
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
2-[(2-amino-4-nitrophenyl)sulfonylamino]-3-methylbutanamide
CID 106347100
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347101
2-[(5-bromo-2-cyanophenyl)sulfonylamino]-3-methylbutanamide
CID 119040585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide (CID 97255208) is (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide is CC(C)[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(N)=O.
What is the InChIKey of (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide?
The InChIKey is INSWNGIVOZXBTQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN2O5S3/c1-5(2)8(10(12)14)13-21(17,18)6-4-7(19-9(6)11)20(3,15)16/h4-5,8,13H,1-3H3,(H2,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide?
(2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide has a molecular weight of 374.89 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloro-5-methylsulfonylthiophen-3-yl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 97255208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).