N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide

C10H16ClN3O3S2 — CID 61047631

IUPACN-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide
SMILESCCC(C)NC(=O)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H16ClN3O3S2/c1-3-7(2)14-8(15)4-5-13-19(16,17)9-6-12-10(11)18-9/h6-7,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyWAYGWMQNDRBCML-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.38
Rot. Bonds7

About N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide

N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide (PubChem CID 61047631) has the molecular formula C10H16ClN3O3S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide
PubChem CID61047631
Molecular FormulaC10H16ClN3O3S2
Molecular Weight325.84 g/mol
Exact Mass325.03
IUPAC NameN-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide
SMILESCCC(C)NC(=O)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H16ClN3O3S2/c1-3-7(2)14-8(15)4-5-13-19(16,17)9-6-12-10(11)18-9/h6-7,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyWAYGWMQNDRBCML-UHFFFAOYSA-N
XLogP1.38
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 43455803
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
CID 43455967
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
CID 43455976
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide
CID 43545591
N-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethyl]acetamide
CID 43552871
3-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide
CID 43553616
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-ethylacetamide
CID 43567062
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propylacetamide
CID 43567486
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 43568485
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 54941729
2-chloro-N-[4-(dimethylamino)butan-2-yl]-1,3-thiazole-5-sulfonamide
CID 54968334

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide (CID 61047631) is N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide is CCC(C)NC(=O)CCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide?
The InChIKey is WAYGWMQNDRBCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S2/c1-3-7(2)14-8(15)4-5-13-19(16,17)9-6-12-10(11)18-9/h6-7,13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide?
N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide has a molecular weight of 325.84 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanamide is sourced from PubChem (CID 61047631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).